General Description

The database SPRESIweb consists of three parts: molecules, reactions and references. The start page provides four quicklinks (home, new query, help and logout) on the top and six menus on the left with the content: search, query, hit list, help and others. The search can be carried out for molecules, reactions, references and leads to a hit page with the results and further options described in this help file. Please note that we are not responsible for the content or availability of the linked World Wide Web sites.



Login

After entering the URL of the SPRESIweb application in your browser you have the choice between Password Login or IP-Login. For both you need to register with InfoChem.

Password Login

After entering the URL of the SPRESIweb application in your browser you have to click on the menu Password Login. Then you have to type your username and password into the corresponding fields. By clicking on the button login the login process is completed and the start page will be displayed. To delete all entries in the fields the reset button has to be clicked.

Username (text field)

Here the user has to type his given username.

Password (text field)

Here the given password has to be typed. The password will not show up when you type it.

Login (Login)

By clicking the button login the login process will be completed.

Reset (Reset)

All entries in the text fields will be deleted.

IP-Login

After entering the URL of the SPRESIweb application in your browser you have to click on the menu IP-Login and you get to the start page of SPRESIweb.



Menus

There are six menus on the left side of the start page: search, query, hit list, help and others.



Search (menu)

You can search for molecules, reactions and references.

Molecules (Molecules)

If the option molecules is selected the query form New Molecule Query opens.

Reactions (Reactions)

Clicking on reactions opens the query form New Reaction Query.

References (References)

Clicking on references opens the query form New Reference Query.



Query (menu)

There are four offered possibilities: new, save, open and delete.

New Query (New)

Clicking on this option opens an empty form New Query for the last searched domain.

Save Query (Save)

Click on the save option in the query menu to display the SPRESIweb save query dialog box. The last query can be saved on the server with the desired name. Each user can see only his own saved queries.

Open Query (Open)

Click on the open option in the query menu to display the SPRESIweb open query dialog box. Here a saved query can be selected from the list of saved queries and by clicking on the icon Open next to the drop down list the query can be reopened.

Delete (option)

The dialog SPRESIweb delete query will be displayed. Here a saved query can be selected from the list of saved queries and by clicking on the icon Delete next to the drop down list the query can be deleted.



Hit List (menu)

Hit lists can be saved, deleted, reopened, uploaded and downloaded. Additional to this the download statistic (only for the limited download of hit lists in SD/RD/BibTex-format) is available.

Save Hit List (Save)

This option opens the dialog SPRESIweb save hit list.
The user can save the last hit list on the server. Each user can see only his own saved hit lists.

Open Hit List (Open)

The dialog SPRESIweb open hit list will be displayed. Here a saved hit list can be selected from a list and by clicking on the icon Open next to the drop down list the saved hit list can be reopened.

Delete Hit List (Delete)

The dialog SPRESIweb delete hit list will be displayed. Here a saved hit list can be selected from the list of saved hit lists and by clicking on the icon Delete next to the drop down list the hit list can be deleted.

Upload Hit List (Import)

The dialog upload hit list will be displayed. Here a downloaded hit list can be selected from your computer and by clicking on the icon Upload the hit list can be uploaded.

Download Hit List (Export)

The dialog download hit list will be displayed. Here you have to select a saved hit list and click the Download download icon to download the hit list on your computer. Please note, only the id's of each hit list will be downloaded. To download hit lists in SD/RD or BibTex-format use the special download icon on the top of your hit list.

Download Statistic (Download Statistic)

The dialog download statistic will be displayed. Here you get an overview of the number of downloads of molecules (as SD-file), reactions (as RD-file) and references (as BibTex-file). The download is limited to 10 000 hits/year and for each download limited to 200 hits.



Help (Menu)

The menu help offers two options: Help and About. The option Help opens the help file. The help file describes all possibilities offered by the database SPRESIweb. About explains the historical background of SPRESIweb.

Help (Help)

This option opens the help file that describes all possibilities offered by the database SPRESIweb.

About SPRESI (About)

By clicking on this option the historical background of the database SPRESIweb will be displayed.



Other (Menu)

Here are links offered back to the start page and to the homepage of InfoChem. There is also the option logout to finish the session.

Logout (Logout)

The session will be finished.

Home (Home)

The first page will be displayed.

InfoChem (InfoChem)

This option links to the homepage of InfoChem.



Quicklinks

Here are links offered back to the start page, to the help file and to an empty search form New Query in SPRESIweb of the last searched domain. There is also the option logout to finish the session and the choice to get a query history.

Home (Home)

The first page will be displayed.

New Query (New Query)

Clicking on this option opens an empty form New Query in SPRESIweb of the last searched domain.

Help (History)

Clicking on this option the user gets an overview of the submitted queries with the correspondent hit lits. Hyperlinks restore the chosen hit list or the query.

Help (Help)

Clicking on this option opens the help file. The help file describes all possibilities offered by the database SPRESIweb.

Help (Logout)

The session will be finished.



Dialogs

There are two dialogs for query and hit list: save, open and delete.



Dialog SPRESIweb Open Query

Click on the open option in the query menu to display the SPRESIweb open query dialog box. Here a saved query can be selected from the list of saved queries and by clicking on the icon next to the drop down list the query can be reopened.

Display field

In this drop down list the saved queries of the user can be seen and selected by
the user.

Open Query (Open)

Clicking on this icon opens the selected query.

Help (Help)

The help file will be opened.

Close Dialog (Close Dialog)

Clicking this icon closes the dialog SPRESIweb Open Query.



Dialog SPRESIweb Save Query

Click on the save option in the query menu to display the SPRESIweb save query dailog box. The last query can be saved on the server with the desired name. In the input field the name for the query has to be typed. The input is limited to a maximum of 10 characters. By clicking on the icon with the disk the query will be saved on the server with the given name.

Input field

Here the name for the query has to be typed. The input is limited to a maximum of 10 characters.

Save Query (Save)

By clicking on this icon the query will be saved on the server with the desired name.
Only the user can see his own saved queries.

Help (Help)

The help file will be opened.

Close Dialog (Close Dialog)

Clicking this icon closes the dialog SPRESIweb Save Query.



Dialog SPRESIweb Delete Query

A saved query can be deleted.

Display field

Here a saved query can be selected from the list and by clicking on the icon Delete next to the drop down list the query can be deleted.

Delete (Delete)

By clicking on this icon next to the display field the saved query can be deleted.

Help (Help)

The help file will be opened.

Close Dialog (Close Dialog)

Clicking this icon closes the dialog SPRESIweb Delete Query.



Dialog SPRESIweb Open Hit list

Click on the open option in the hit list menu to display the SPRESIweb open hit list dialog box. Here a saved hit list can be selected from the list of saved hit lists and by clicking on the icon next to the drop down list the hit list can be reopened.

Display field

In this drop down list the users saved hit lists can be seen and selected.

Open Hit List (Open)

Clicking on this icon opens the selected hit list.

Help (Help)

The help file will be opened.

Close Dialog (Close Dialog)

Clicking this icon closes the dialog SPRESIweb Open hit list.



Dialog SPRESIweb Save Hit List

The last hit list can be saved on the server with the desired name. In the input field the name for the hit list has to be typed. The input is limited to a maximum of 10 characters. By clicking on the icon with the disk the hit list will be saved on the server with the given name.

Input field

Here the name for the hit list has to be typed. The input is limited to a maximum of 10 characters.

Save Hit List (Save)

By clicking on this icon the hit list will be saved on the server with the
desired name. Only the user can see his saved hit lists.

Help (Help)

The help file will be opened.

Close (Close Dialog)

Clicking this icon closes the dialog SPRESIweb Save Hit List.



Dialog SPRESIweb Delete Hit List

A saved hit list can be deleted.

Display field

Here a saved hit list can be selected from a list and by clicking on the icon Delete Hit List next to the drop down list the hit list can be deleted.

Delete Hit List (Delete)

By clicking on this icon next to the display field the hit list can be deleted.

Help (Help)

The help file will be opened.

Close Dialog (Close Dialog)

Clicking this icon closes the dialog SPRESIweb Delete hit list.


Dialog Upload Hit List

A downloaded hit list can be uploaded from your computer.

Display field

Here a downloaded hit list can be selected from your computer and by clicking on the icon Upload hit list the hit list will be uploaded.

(Browse)

By clicking on this button you can browse through your saved files.

Upload Hit List (Upload)

By clicking on this icon the selected hit list will be uploaded.

Help (Help)

The help file will be opened.

Close Dialog (Close Dialog)

Clicking this icon closes the dialog Upload hit list.


Dialog Download Hit List

A saved hit list can be downloaded.

Display field

Here a saved hit list can be selected from a list and by clicking on the icon Download Hit List next to the drop down list the hit list can be downloaded.

Download Hit List (Download)

By clicking on this icon next to the display field the hit list can be downloaded.

Help (Help)

The help file will be opened.

Close Dialog (Close Dialog)

Clicking this icon closes the dialog Download hit list.


Dialog Download Statistic

Here you get an overview of the number of downloads of molecules (as SD-file), reactions (as RD-file) and references (as BibTex-file). The download is limited to 10 000 hits/year and for each download limited to 200 hits.

Help (Help)

The help file will be opened.

Close Dialog (Close Dialog)

Clicking this icon closes the dialog Download Statistic.




Search for Molecules

New Molecule Query (form)

Click on molecules in the search menu to display the form New Molecule Query. Two query lines exist for the data search. For each query line you can specify a search field in a drop down list containing the following options:
     
  Basic Index
  Name
  Trivial Name
  SPRESI Regno
  InChIKey
  Supplier
  Keywords
  Melting Point
  Boiling Point
  Sublimation Point
  Decomposition Point
  Transition Temperature
  Dissociation Constant
  Density
  Optical Rotation
  Refractive Index
  Molecular Formula
  Molecular Formula Flexible
  Molecular Weight
  Author
  Year
  Patent Owner
  Patent Number
  Patent Country
  logP
  Rotable Bonds
  H Acceptors
  H Donors
  Hit List

In a second field a drop down list is offered containing the following logical options:
     
  For numeric values:
  =
  >
  <
  >=
  <=
  between
  For names:
  equals
  contains
  begins with
  ends with.

In the text field the search value has to be keyed in. To view the available values there is an index next to the text field. Click on the button Index next to the text field to display the relevant index. There you can select directly the value by clicking on it or you can browse through the index list and change to the next page by clicking on next page at the bottom of the page. You also can enter a truncated search value and then check the possible search values in the index field by clicking on the button next to field. For molecules the index list will be offered for all values except molecular formula, year, patent owner and patent country.
The two database search lines can be combined by the operator drop down list containing: and, or and not. And means the hits are intersected, or means either.. or and not excludes the second query line.
The data search can be combined with structures by and. To include structures in the search for molecules you have to mark the checkbox include structure. In a second drop down list you can select if the search will be done for substructure, exact structure, parent search, tautomer search, isomer search, flex match or similarity.

The structure can be enlarged by clicking on the zoom Zoom and edited by clicking on the icon Start Editor.

Clicking on the hyperlink Detailed instructions for advanced structure/reaction searching opens the pdf - manual Infochem's Structure Input and Search Documentation.

There is also the option to get a detailed hit list or compact hit list and how many hits per page (limited to 48 hits/page) will be displayed ordered by name, trivial name, SPRESI Regno, melting point or molecular weight in ascending or descending order. By checking the option show substructure the substructure of the molecules in the hit list will be highlighted in blue color.

By clicking on Reset the whole information of the query form can be deleted. By clicking Start Search the search will be started and the hit list page will be displayed.




Search for Reactions

New Reaction Query (form)

Click on reactions in the search menu to display the form New Reaction Query. Two query lines do exist for the data search. For each query line you can specify a search field in a drop down list containing the following options:

     
  Yield
  Reaction Conditions (such as temperature)
  Name Reactions Beta
  Author
  Year
  Patent Owner
  Patent Number
  Patent Country
  Hit List
  Reaction Number
  Document Number
  Product Regno
  Reactant Regno
  Catalyst, Solvent

In a second field a drop down list is offered containing the following logical operators:
     
  For numeric values:
  =
  >
  <
  >=
  <=
  between
  For names:
  equals
  contains
  begins with
  ends with.

In the text field the search value has to be keyed in. To view the available values there is an index next to the text field. Click on the button Index next to the text field to display the relevant index. There you can select directly the value by clicking on it or you can browse through the index list and change to the next page by clicking on next page at the bottom of the page. You also can enter a truncated search value and then check the possible search values in the index field by clicking on the button next to field. For reactions the index list will be offered for the values: document number, reaction conditions, catalyst/solvent, author, patent number, hit list and name reactions beta.
The two database search lines can be combined by the operator drop down list containing: and, or and not. And means the hits are intersected, or means either.. or and not excludes the second queryline.
The data search can be combined with reactions by and. To include reactions in the search for reactions you have to mark the checkbox include reaction.In a second drop down list you can select if the search will be done for all-in-one reaction search, reaction substructure, similar reactions, exact reactions, contains exact reaction, contains exact reactants or contains exact products. The structure editor will be started by clicking on the button Start Editor in the lower right corner of the drawing area. The drawn reaction has to be transferred from the editor into the query form.

The reaction can be enlarged by clicking on the zoom Zoom and edited by clicking on the icon Start Editor.

Clicking on the hyperlink Detailed instructions for advanced structure/reaction searching opens the pdf - manual Infochem's Structure Input and Search Documentation.

There is also the option to get a detailed hit list or compact hit list and how many hits per page (limited to 48 hits/page) will be displayed ordered by name, trivial name, SPRESI Regno, melting point or molecular weight in ascending or descending order. Additional there are the options to show reaction substructure (blue color)and to show reaction centers (red color) in the hit list.

By clicking on Reset the whole information of the query form can be deleted. By clicking Start Search the search will be started and the hit list page will be displayed.




Search for References

New Reference Query (form)

Click on references in the search menu to display the form New Reference Query. Five query lines exist for the data search. For each query line you can specify a search field in a drop down list containing the following options:
     
  Basic Index
  Document ID
  Year
  Coden
  ISSN
  Language
  Journal Name
  Title
  Patent Number
 Patent Country
  Patent Owner
  Author
  Hit List

In a second field a drop down list is offered containing the following logical operators:
     
  =
  <
  >
  <=
  >=
  between
  equals
  contains
  begins with
  ends with

In the third field the search value has to be keyed in. To view the available values there is an index next to the third field. Click on the button Index next to the text field to display the relevant index. There you can select directly the value by clicking on it or you can browse through the index list and change to the next page by clicking on next page at the bottom of the page. You also can enter a truncated search value and then check the possible search values in the index field by clicking on the button next to field. For references the index list will be offered for the values: basic index, document ID, ISSN, language, coden, journal name, patent number, author and hit list.
The five database search lines can be combined by the operator drop down list containing: and, or and not. And means the hits are intersected, or means either.. or and not excludes the second query line.
There is also the option to get a detailed hit list or compact hit list and how many hits per page (limited to 48 hits/page) will be displayed ordered by year, coden, ISSN, journal name, patent country, patent owner or author in ascending or descending order.

By clicking on the button Reset the whole information of the search form can be deleted. By clicking the button Start Search the search will be started and the hit list page will be displayed.




Search Options (drop down list)

For Molecules:

The drop down list comprises the following options:
     
  Basic Index
  Name
  Trivial Name
  SPRESI Regno
  Supplier
  Keywords
  Melting Point
  Boiling Point
  Sublimation Point
  Decomposition Point
  Transition Temperature
  Dissociation Constant
  Density
  Optical Rotation
  Refractive Index
  Molecular Formula
  Molecular Formula Flexible
  Molecular Weight
  Author
  Year
  Patent Owner
  Patent Number
  Patent Country
  logP
  Rotable Bonds
  H Acceptors
  H Donors
  Hit List

Basic Index searches in name, trivial name and molecular formula.
Name means systematic name.
Molecuar Formula Flexible enables the user to search for structures that contain the molecular formula specified in the query as sub formula, containing ranges and any additional other atoms, such as C(1-6)N(0-5).
SPRESI Regno is the unique registration number of a molecule in the SPRESI database.
Physical data have to be always numeric values.
The chemical descriptors calculated with MOE 2004.3 are logP, rotable bomds, H acceptors and H donors. Three hit list types exist: tempory hit list, saved hit list and uploaded hit list. Here you can combine a search with an existing hit list.
Only one parameter can be selected.




Search Options (drop down list)

For Reactions:

The drop down list comprises the following options:
     
  Yield
  Reaction Conditions (such as temperature)
  Name Reactions Beta
  Author
  Year
  Patent Owner
  Patent Number
  Patent Country
  Hit List
  Reaction Number
  Document Number
  Product Regno
  Reactant Regno
  Catalyst, Solvent

Three hit list types exist: tempory hit list, saved hit list and uploaded hit list.Here you can combine a search with an existing hit list.
Name Reaction Beta Search represents an alternative search mode in SPRESIweb utilizing the familiarity of synthetic chemists with named reactions, such as Diels-Alder, Michael, Aldol etc. There exist between 800 - 1000 of these reactions in the literature depending on the source. In SPRESIweb they are organized in a hierarchical fashion. Eight main groups representing additions, eliminations, rearrangements, oxidations, reductions, substitutions, heterocyclic synthesis, and miscellaneous form the roots of the tree. Each group is then further specified according to the reaction type. For example, an intermolecular aldol reaction is listed in the branch "Addition - 1,2-Additions - Aldol reaction - Intermolecular - aldehyde/ketone'".

Reactions involving two or more clearly distinguishable named reactions, such as a tandem reaction involving a Michael reaction with a nitroalkyl derivative followed by a Nef reaction, have multiple listing in respective branches. Named reactions that involve more than one undistinguishable reaction types, such as the Alper reaction, are listed under "Miscellaneous". The same applies to named heterocyclic reactions/syntheses, such as the Fischer indole synthesis, unless the reaction types are clearly distinguishable. In this case the reactions are also listed in their respective groups.

Each named reaction is associated with one or more substructure queries transparent to the user. These queries are used to preprocess the database and assign the reaction name(s).
To start a Name Reaction search select Name Reactions beta from the drop-down menu associated with the text search field. This will open a new web page displaying the tree. By clicking on the desired named reaction in the expanded tree the program returns to the search query form and shows the name of the reaction in the text field. Clicking on Search activates the search. Alternatively, the full or truncated reaction name can be entered into the value field. To view the available values click on the index button next to the field. The respective branch of the reaction with the specific value highlighted is then shown on the index page.

Please note: this is only a prototype of our new name reactions functionality.

Only one parameter can be selected.






Search Options (drop down list)

For References:

The drop down list comprises the following options:
     
     
  Basic Index
  Document ID
  Year
  Coden
  ISSN
  Language
  Journal Name
  Title
  Patent Number
 Patent Country
  Patent Owner
  Author
  Hit List

Three hit list types exist tempory hit list, saved hit list and uploaded hit list. Here you can combine a search with an existing hit list.
Only one parameter can be selected.


.



Logical Operator (Reactions/Molecules)

This drop down list comprises the following operators:
     
  For numeric values:
  =
  >
  <
  >=
  <=
  between
  For names:
  equals
  contains
  begins with
  ends with.

One operator has to be selected.



Logical Operator (References)

This drop down list comprises the following operators:
     
  =
  <
  >
  <=
  >=
  between
  equals
  contains
  begins with
  ends with

One operator has to be selected.



Input field (Molecules/Reactions/References)

In this text field the user has to type the search value.

Open Index Index (Molecules/Reactions/References)

To view the available values there is an index next to the search field. Clicking on the button the index list will be opened. There you can select directly the value by clicking on it or you can browse through the index list and change to the next page by clicking on next page at the bottom of the page. You also can enter a truncated search value and then check the possible search values in the index field by clicking on the index button. For molecules the index list will be offered for all search values except molecular formula, molecular formula flexible, year, patent owner and patent country. For reactions the index list will be offered for document numbers, reaction conditions, catalyst/solvent (regno), author, patent number, hit list and name reactions. For references the index list will be offered for the values: basic index, document ID, ISSN, language, coden, journal name, patent number, author and hit list. For the search option keywords there is a search option offered in the index list.

Combine Operator (Molecules/Reactions/References)

There are the options: and, or and not to combine the two text search lines. And means the hits are intersected, or means either.. or and not excludes the second query line.

Include Structure (Molecules)

To include the structure the checkbox has to be marked.

Include Reaction (Reactions)

To include the reaction the checkbox has to be marked.

Combine Operator (Molecules)

To combine the data search with the structure and has to be selected.

Combine Operator (Reactions)

To combine the data search with the reaction and has to be selected.

Search Options (Molecules)

Here the user has the choice between all-in-one structure search, substructure, exact structure, parent search, tautomer search, isomer search, flex match and similarity.

An "All-in-One" Structure Search (SSA) finds molecule records in your database that match your query exactly (that includes exact structure, isomer search, tautomer search, parent search and flex match) or contain your query as a substructure wholly within a larger structure or are similar to your query. The hits are sorted according to this order and limited to the 100 best matches. To get detailed instructions for advanced structure/reaction searching, please read the ICFSE Tutorial.

A substructure search looks for all database records containing the specified query structure completely or as a subset. The substructure search regards additional query features like any atom, atom lists, stereochemistry, exact or unspecified bond orders and many more.

If exact structure is selected, an exact structure search will be conducted.

If patent search is chosen, a search for the largest uncharged component of a salt is performed. Tautomeric forms or other salts of the uncharged component are retrieved.

If tautomer search is selected, an extended tautomer search is performed. Hydrogens, metal atoms or radical electrons my be shifted.

If isomer search is selected, stereomeric isomers or isomers containing isotops will be retrieved.

Flex match means a most flexible exact search is performed.

The molecule similarity search finds molecules that are structurally similar to your structure query (Tanimoto algorithm based on molecule fingerprint). You can define the degree of similarity in your query by choosing a threshold in the dropdown list.

Search Options (Reactions)

Here the user has the choice between all-in-one reaction search, reaction substructure, similar reactions, exact reactions, contains exact reaction, contains exact reactants or contains exact products.

An "All-in-One" Reaction Search (RSA) finds reaction records in your database that The hits are sorted according to this order and limited to the 100 best matches. To get detailed instructions for advanced structure/reaction searching, please read the ICFSE Tutorial.
Please note, only complete reactions with educts and products can be searched. For incomplete reactions without educts or products a search for reaction substructure, similar reaction, contains exact products or contains exact reactants has to be conducted.

Using the structure editor ICEditJS (Molecules/Reactions)

The structure editor can be started by clicking on the icon Start Editor at the lower right corner of the drawing area or by double-clicking the drawing area itself.

Drawing Area (Molecules/Reactions)

Here the structure (if you search for molecules) or reaction (if you search for reactions) will be displayed as search criterion.

Help (Help) (Molecules/Reactions)

The help file will be opened.

Zoom (Zoom) (Molecules/Reactions)

Clicking on the magnifying glass enlarges the drawn structure (if you search for molecules) or reaction (if you search for reactions).

Start Editor (Start editor) (Molecules/Reactions)

The structure editor will be started by clicking on this icon.

Detailed instructions for advanced structure/reaction searching (Molecules/Reactions)

Clicking on the hyperlink Detailed instructions for advanced structure/reaction searching opens the pdf - manual Infochem's Structure Input and Search Documentation.

Show detailed hit list (Molecules/Reactions/References)

To get a detailed hit list the checkbox has to be checked. Uncheck this checkbox to view a compact hit list of the molecules,reactions or references.

Show hits per page (Molecules/Reactions/References)

Here the option is offered to determine how many hits per page (limited to 48 hits/page) will be displayed ordered by name, trivial name, SPRESI Regno, melting point or molecular weight (for molecules), by reaction number or yield (for reactions) or by year, coden, ISSN, journal name, patent country or author (for references) in ascending or descending order.

Show Quickhelp (Molecules/Reactions/References)

To view a short description of the offered search fields the checkbox has to be switched on.

Show substructure (Molecules)

By selecting this checkbox the substructure of the molecules in the hit list will be highlighted in blue color.

Show reaction substructure (Reactions)

By selecting this checkbox the reaction substructure of the reaction in the hit list will be highlighted in blue color.

Show reaction centers (Reactions)

By selecting this checkbox the reaction center of the reaction in the hit list will be highlighted in red color.

Reset (Reset) (Molecules/Reactions/References)

All entries in the query form will be deleted.

Start Search Search (Molecules/Reactions/References)

The search will be started.



SPRESI Hit List (Molecules)

The SPRESI Hit List consists of four parts: the query data, the navigation bar with the number of hit pages, the hits and the query form at the end of the hit list.
The query data show the general information of the hit list and the results of the search. Up to 48 hits will be shown on each hit page.
The hits are characterized by the molecule data, external links, calculated properties and references. Molecule data are: molecular formula, molecular weight,Spresi RegNo,more names/synonyms,show keywords, show physical properties and show details.
Calculated properities are: logP, rotable bonds, H-acceptors and H-donors.
References offers hyperlinks to journal articles, patents and other references. By clicking on the hyperlink Journal articles all cited journals with title, citation, year will be displayed in a list with descending order (order by year). By clicking on the hyperlink Patents all cited patents with title, owner, number and country will be displayed in a list and by clicking on the hyperlink Other references all cited references with title, citation, year will be displayed in a list. Additional there is the option to select chemicals suppliers for hits marked with a green background. By clicking on zoom a window with the enlarged molecule will be displayed with the following options: show query substructure and show stereo information. Clicking on the hyperlink >> in the header of each hit or clicking on the icon Details opens the SPRESI Lookup with further details of the hit.




Compact SPRESI Hit List (Molecules)

If the option show detailed hit list is unchecked the compact hit list will be displayed. The compact hit list consists of four parts: the query data, the navigation bar with the number of hit pages, the compact hits and a new query form at the end of the hit list. The query data show the general information of the hit list and the results of the search. Up to 48 hits/page will be shown on each hit page. The hits are characterized by the Spresi Regno, structure, the option zoom and the option click for details.
Additional each structure is an active hyperlink. Clicking on the structure or on the icon Click for details will start the search for this structure in SPRESIweb. It will lead to a detailed hit list (SPRESI Lookup) containing only this hit with additional information.




SPRESI Hit List (Reactions)

The SPRESI Hit List consists of four parts: the query data, the navigation bar with the number of hit pages, the hits and a new query form at the end of the hit list.
The query data show the general information of the hit list and the results of the search. Up to 48 hits will be shown on each hit page. The hits are characterized by the Reaction Regno and data such as yield, conditions and source will be displayed, also the option similar is offered that starts the search for similar reactions with the same classcode. Clicking on the reference (title), on >> or on the icon Details in the header of each hit opens the SPRESI Lookup with details of the current reaction and the appended reference. Clicking on each single molecule of the reaction opens a menu Click for options with the following options: molecule exact search, molecule substructure search, molecule as reactant, molecule as product and if the molecule is marked with a green background select chemicals suppliers.
By clicking on zoom a window with the enlarged reaction will be displayed with the following options: show query substructure, show stereo information, additional for reactions show reaction centers and show mapping.




Compact SPRESI Hit List (Reactions)

If the option show detailed hit list is unchecked the compact hit list will be displayed. The compact hit list consists of four parts: the query data, the navigation bar with the number of hit pages, the compact hits and a new query form at the end of the hit list. The query data show the general information of the hit list and the results of the search. Up to 48 hits/page will be shown on each hit page. The hits are characterized by the Reaction Regno, reaction, the option zoom and the option click for details.
Additional each reaction is an active hyperlink. Clicking on the reaction or on the icon Click for details will start the search for this reaction in SPRESIweb. It will lead to a detailed hit list (SPRESI Lookup) containing only this hit with additional information.



SPRESI Hit List (References)

The SPRESI Hit List consists of four parts: the query data, the navigation bar with the number of hit pages, the hits and a new query form at the end of the hit list.
The query data show the general information of the hit list and the results of the search. Up to 48 hits/page will be shown on each hit page. If the hits are journal articles or other publication (such as PhD thesis), the hits are characterized with the title, document id, authors, citation, DOI (Digital Object Identifer) and number of molecules and number of reactions mentioned in the journal article. There also are the options order this article from 'Subito', view abstract/full paper on publisher's page, order this article via the internal 'LitLink', order this article from 'CISTI'. If the hits are patents, the hits are characterized with the title, document id, authors, patent number, applicant and number of molecules mentioned in the patent. Patents can be viewed in Espacenet or, if it is an US patent, in US Patent & Trademark Office. Clicking on the hyperlink Show me all molecules or >> in the header of each hit opens the SPRESI Lookup with further details of the reference.




Compact SPRESI Hit List (References)

The SPRESI Hit List consists of four parts: the query data, the navigation bar with the number of hit pages, the hits and a new query form at the end of the hit list.
The query data show the general information of the hit list and the results of the search. Up to 48 hits/page will be shown on each hit page. The hits are characterized with the authors, title and citation There also is the option (if available) View abstract/full paper on publisher's page. Clicking on the title opens the SPRESI Lookup with further details of the reference.




Query data (Molecules/Reactions/References)

The query data show the general information of the hit list and the results of the search.

Your Query (Molecules/Reactions/References)

Your query summarizes the search factors.

Search Time (Molecules/Reactions/References)

Here the search time will be given in seconds.

Status of your search (Molecules/Reactions/References)

Status of your search can be still searching or completed. Still searching means that the user can already see a part of the hit list, but the search is not completed yet. If the status is completed then the number of hits doesn't change anymore.

Number of Hits (Molecules/Reactions/References)

The number of hits will be displayed.

Query options (Molecules/Reactions/References):

Query options are: save, open, help, modify and new.

Save Query (Save Query) (Molecules/Reactions/References)

This icon opens the dialog SPRESIweb save query. The user can save the last query on the server. Each user can see only his own saved queries.

Open Query (Open Query) (Molecules/Reactions/References)

The dialog SPRESIweb open query will be displayed. Here a saved query can be selected from a list and by clicking on Open next to the drop down list the saved query can be reopened.

Help (Help) (Molecules/Reactions/References)

The help file will be opened.

Modify Query (Modify Query) (Molecules/Reactions/References)

By clicking on the icon modify the last query can be modified.

New Query (New Query) (Molecules/Reactions/References)

An empty query form for the current domain (molecules, reactions or references) will be displayed.

Hit list options (Molecules/Reactions/References):

Hit list options are: save, open, help, select all, deselect all, printer friendly and additional for molecules and reactions switch to reference .

Download options (Molecules/Reactions/References):

Download options are: export hit list (molecules/reactions/references), download SD-file (molecules)/RD-file (reactions)/BibTeX-file (references), dowmload as pdf-file (molecules/reactions/references), download in EndNote format (references) and as wistract-file (references)
.

Save Hit list (Save Hit list) (Molecules/Reactions/References)

Clicking on this icon opens the dialog SPRESIweb save hit list. The user can save his last hit list on the server. Each user can only see his saved hit lists.

Open Hit list (Open Hit list) (Molecules/Reactions/References)

The dialog SPRESIweb open hit list will be displayed. Here a saved hit list can be selected from a list and by clicking on Open next to the drop down list the saved hit list can be reopened.

Help (Help) (Molecules/Reactions/References)

The help file will be opened.

Select all Hit list (Select all) (Molecules/Reactions/References)

Next to the name of each hit there is a checkbox. Only the selected hits will be saved. To select all hits you have to click on Print hit list. To select single hits you have to mark each checkbox next to the name individually.

Deselect all (Deselect all) (Molecules/Reactions/References)

Next to the name of each hit there is a checkbox. Only the selected hits will be saved. If you want to reset your selected choice you have to click on Deselect all.

Printer friendly (Printer friendly) (Molecules/Reactions/References)

By clicking on the icon Printer friendly a printer version of the current hit list will be displayed. The printer version offers the option:print this page, return to original page and offers the possibility to navigate through the whole hit list.

Switch to reference (Switch to reference) (Molecules/Reactions)

By clicking on the icon Switch to reference structure and reaction hit lists can be switched into the correspondent references hit lists, giving an overview of the source journals and enabling easy pursue of the documents of interest.

Export Hit List (Export Hit List) (Molecules/Reactions/References)

Here you can download the hit list on your computer. Please note, only the id's of each hit list will be downloaded. To download hit lists in SD/RD or BibTex-format use the special download icon on the top of your hit list.

Download SD File (Download SD File) (Molecules)

Here you can download the hit list in SD - format. The download is limited to 10 000 hits/year and for each download limited to 200 hits and available only for licensed users. To get an overview about the download volume please click under the menu hit list the option download statistic.

Download RD File (Download RD File) (Reactions)

Here you can download the hit list in RD - format. The download is limited to 10 000 hits/year and for each download limited to 200 hits and available only for licensed users. To get an overview about the download volume please click under the menu hit list the option download statistic.

Download BibTeX File (Download BibTeX File) (References)

Here you can download the hit list in BibTeX-format. The download is limited to 10 000 hits/year and for each download limited to 200 hits and available only for licensed users. To get an overview about the download volume please click under the menu hit list the option download statistic.

Download PDF-File (PDF) (Molecules/Reactions/References)

Here you can download the current hit page of your hit list as pdf-file.

EndNote Format (EndNote Format) (References)

Here you can download the hits in EndNote format on your computer.

Wistract (WISTRACT) (References)

Here you can download the hits as Wistract-file. In Wistract the downloaded reference hit lists can be statistically evaluated.

Hit page - Navigation bar (Molecules/Reactions/References)

Links are provided for five hit pages. Each hit page shows up to 48 hits. Clicking on the hyperlink > will show the next page, by clicking on the hyperlink >I the last page with possible hits will be displayed.



Hit page - Navigation bar Compact Hit List (Molecules/Reactions/References)

Links are provided for five hit pages. Each hit page shows up to 48 hits/page. Clicking on the hyperlink > will show the next page, by clicking on the hyperlink >I the last page with possible hits will be displayed. There is also the possibility to jump to a special page or hit within the hit list.



Hit (Molecules)

All hits show the Compound Name in the header of each hit, the Spresi Regno, the unique number within the SPRESIweb database, and the following information if existing for the searched molecule: molecular formula, molecular weight, trivialname, name, number of journals and patents and other publications. If the name is not shown completely, you can click on More Names/Synonyms to view the further names of the compound. Each molecule can be enlarged via the customisable zoom, searched as reactant, as product or as substructure and the molfile can be displayed. By clicking on the hyperlink Journal articles all cited journals with title, citation, year will be displayed in a list with descending order (order by year). By clicking on the hyperlink Patents all cited patents with title, owner, number and country will be displayed in a list and by clicking on the hyperlink Other references all cited references with title, citation, year will be displayed in a list. There also are the options show keywords, show physical properties and show details (only first 100 references). Additional there is the option to select chemicals suppliers for hits marked with a green background. By clicking on zoom a window with the enlarged molecule will be displayed with the following options: show query substructure and show stereo information.Clicking on the hyperlink >> in the header of each hit or clicking on the icon Details opens the SPRESI Lookup with further details of the hit.



Compact Hit (Molecules)

All hits show the Spresi Regno, the unique number within the SPRESI database, in the header of each hit, the structure and the option customisable zoom.
Additional each structure is an active hyperlink. Clicking on it will start the search for this structure in SPRESIweb. It will lead to a detailed hit list containing only this hit with additional information.




Hit (Reactions)

All hits are characterized by the Reaction Regno and data such as yield, conditions and source will be displayed, also the option similar is offered that starts the search for similar reactions with the same classcode. Clicking on the reference (title), on >> in the header of each hit or on the icon Details opens the SPRESI Lookup with details of the current reaction and the appended reference. Clicking on each single molecule of the reaction opens a menu Click for options with the following options: molecule exact search, molecule substructure search, molecule as reactant, molecule as product and if the molecule is marked with a green background select chemicals suppliers.
By clicking on zoom a window with the enlarged reaction will be displayed with the following options: show query substructure, show stereo information, show reaction centers and show mapping.





Compact Hit (Reactions)

All hits are characterized by the Reaction Regno, reaction, the option zoom and the option click for details.
Additional each reaction is an active hyperlink. Clicking on the reaction or on the icon Click for details will start the search for this reaction in SPRESIweb. It will lead to a detailed hit list (SPRESI Lookup) containing only this hit with additional information.




Hit (References)

If the hits are journal articles or other publication (such as PhD thesis), the hits are characterized with the title, document id, authors, citation, DOI (Digital Object Identifer) and number of molecules and number of reactions mentioned in the journal article. There also are the options order this article from 'Subito', view abstract/full paper on publisher's page, order this article via the internal 'LitLink' and order this article from 'CISTI' . If the hits are patents, the hits are characterized with the title, document id, authors, patent number, applicant and number of molecules mentioned in the patent. Patents can be viewed in Espacenet or if it is an US patent in US Patent & Trademark Office. Clicking on the hyperlink Show me all molecules or >> in the header of each hit opens the SPRESI Lookup with further details of the reference and clicking show me all reactions opens the reaction hit list.




Compact Hit (References)

The hits are characterized with the authors, title and citation There also is the option (if available) View abstract/full paper on publisher's page. Clicking on the title opens the SPRESI Lookup with further details of the reference.



>> (Click for details) (Molecules)

Clicking on the hyperlink >> in the header of each hit or the hyperlink Show all detail data opens the SPRESI Lookup with details of the current molecule and the citations that contain this respective molecule. By clicking on one of the references a search for this citation will be started.

Molecule data (Molecules/References)

Molecule data are: molecular formula, molecular weight,Spresi RegNo,more names/synonyms and the hyperlinks show keywords, show physical properties and show details.

Molecular Formula (Molecules/References)

A Molecular Formula search finds molecule records that contain the formula that you specify in your query.

Molecular Weight (Molecules/References)

The Molecular Weight is calculated from the molecular formula using standard elemental molecular weights (e.g. carbon equals 12.1).

Spresi RegNo (Molecules/References)

The Spresi RegNo is an unique registration number for each molecule or compound in the SPRESIweb database.

More Names/Synonyms (Molecules/References)

Clicking on More Names/Synonyms to view the further names of the compound.

Calculated properties (Molecules/References)

Calculated properities are: logP, rotable bonds, H-acceptors and H-donors.

logP (Molecules/References)

The logP is a partition coefficient based on the solvents Octanol and Water and is a measure of the hydrophobicity of a substance.

Rotable bonds (Molecules/References)

Here the number of rotatable single bonds will be displayed.

H-Acceptors (Molecules/References)

Here the number of hydrogen acceptors will be displayed.

H-Donors (Molecules/References)

Here the number of hydrogen donors will be displayed.

References (Molecules/References)

References offers hyperlinks to journal articles, patents and other references.

Journal articles (Molecules/References)

Clicking on the hyperlink Journal articles opens the SPRESI Lookup with details of the current molecule and the list of journal articles.

Patents (Molecules/References)

Clicking on the hyperlink Patents opens the SPRESI Lookup with details of the current molecule and the list of patents.

Other References (Molecules/References)

Clicking on the hyperlink Other References opens the SPRESI Lookup with details of the current molecule and the list of other references.

Details (Details) (Molecules)

Clicking on the icon Show all detail data opens the SPRESI Lookup with details of the current molecule and the citations that contain this respective molecule. By clicking on one of the references a search for this citation will be started.

Show keywords (Molecules/References)

Clicking on the hyperlink Show keywords opens the SPRESI Lookup containing a list with all keywords. Click on these keywords to display all references that also contain these keywords. By clicking on one of the references a search for this citation will be started.

Show physical properties (Molecules/References)

Clicking on the hyperlink Show physical properties opens the SPRESI Lookup containing a list with all physical properties and all references that contain this physical property. By clicking on one of the references a search for this citation will be started.

Show details (Molecules/References)

Clicking on the hyperlink Show details opens the SPRESI Lookup with details of the current molecule and the citations that contain this respective molecule. By clicking on one of the references a search for this citation will be started.

Click for options (Reactions)

Clicking on each single molecule of the reaction opens a menu Click for options with the following options: molecule exact search, molecule substructure search, molecule as reactant, molecule as product and if the molecule is marked with a green background select chemicals suppliers and close this menu.

Select supplier (Molecules/Reactions)

By selecting a chemicals supplier (possible only for hits marked with a green background) and clicking on the icon go the user can check which substances contained in his hit lists are commercially available directly during the search and order them through the link to homepage/online catalogue of the chemicals suppliers. If the hit is a reaction the search for chemicals suppliers can be conducted for each single molecule of the reaction, if the molecule is marked with a green background.

>> (Show me the reference) (Reactions)

Clicking on the hyperlink >> in the header of each hit opens the SPRESI Lookup
with details of the current reaction and the appended reference.

Details (Details) (Reactions)

Clicking on the icon Details opens the SPRESI Lookup with details of the current reaction and the appended reference.

>> (Click for Details) (Reactions)

Clicking on the hyperlink >> opens the SPRESI Lookup with details of the current reaction and the appended reference.

Customisable Zoom (Zoom) (Molecules/Reactions)

By clicking on zoom a window with the enlarged structure (if search is conducted for molecules) or with the enlarged reaction (if search is conducted for reactions) will be displayed with the following options: show query substructure, show stereo information (for molecules/reactions) and additional for reactions show reaction centers and show mapping. It is possible to activate and show mappings and stereo information as well as to remove the highlighting of the reaction centers (red) and query substructures (blue).

Search as Reactant (Search as Reactant) (Molecules/Reactions)

A search for the molecule (if search is conducted for molecules) or the selected molecule (if search is conducted for reactions) as reactant will be conducted within the reaction database.

Product (Search as Product) (Molecules/Reactions)

A search for the molecule (if search is conducted for molecules) or the selected molecule (if search is conducted for reactions) as product will be conducted within the reaction database.

Substructure (Substructure) (Molecules/Reactions)

Here the search for the molecule as substructure will be conducted.

Exact (Reactions)

Here the exact search for the molecule will be conducted.

Close this menu (Reactions)

Clicking on this hyperlink closes the menu Click for options.

Exact (Exact) (References)

Here the exact search for the molecule will be conducted.

Link to Molfile (Molfile) (Molecules/ References)

Clicking on this icon opens the molfile of the searched molecule. You can copy this file and import it into other programs, e.g. into ISIS-Draw.

Report Error (Error) (Molecules/Reactions/References)

Data errors can be immediately reported to InfoChem simply by clicking the Report Error icon.

(Report incorrect data) (Molecules/Reactions/References)

Data errors can be immediately reported to InfoChem simply by clicking the hyperlink Report incorrect data.

Similar (Similar) (Reactions)

Clicking on this icon starts the search for similar reactions with the same classcode.

>> or (Show me all molecules) (References)

Clicking on the hyperlink Show me all molecules or >>opens the SPRESI Lookup with further details of the reference.

(Show me all reactions) (References)

Clicking on the hyperlink Show me all reactions opens the Hit List with details of the reaction or reactions and the citation that contain this respective reaction.

View in Espacenet (View Patent in 'Espacenet') (References/Molecules/Reactions)

By clicking on this hyperlink the user can view for the patent at the European Patent office. The European national patent office and the European Patent office offer free patent information on the Internet.

View Patent in US Patent & Trademark Office (View Patent in 'US Patent & Trademark Office') (References/Molecules/Reactions)

By clicking on this hyperlink the user can view for a patent at the United States Patent and Trademark Office (USPTO). This link is only offered for US patents. The patent information service is free of charge.

Order article (Order article from CISTI) (Molecules/Reactions/References)

By clicking on this hyerlink there is the possibility to order the article at CISTI (Canada Institute for Scientific and Technical Information). To use this service the user has to be registered and there will be a charge for each article ordered.

Order article (Order article via subito) (Molecules/Reactions/References)

By clicking on this hyperlink there is the possibility to order the article at subito Library Service. To use this service the user has to be registered and there will be a charge for each article ordered.

Order article (Order this article via the internal 'LitLink') (Molecules/Reactions/References)

By clicking on this hyperlink there is the possibility to retrieve the document automatically. LitLink is an Inhouse server component that enables the user to link directly from references to full-text papers (Inhouse or by services as subito etc.).

Order article (View abstract/full paper on publisher's page) (Molecules/Reactions/References)

By clicking on this hyperlink or on the icon view abstract/full paper on publisher's page there is the possibility to view abstract/full paper on publisher's page .

SPRESI Lookup (Molecules)

This page will be displayed by clicking on the hyperlink Show all detail data or >> on the header of each hit or on the DetailsDetails icon in the hit list.
It consists of two parts: it starts with the general information about the hit such as the molecule data, external links, calculated properties and references and ends with the references.
Molecule data are: molecular formula, molecular weight,Spresi Regno and more names/synonyms.
Calculated properities are: logP, rotable bonds, H-acceptors and H-donors.
References offers hyperlinks to journal articles, patents and other references.
There are up to five references on each page. Each reference shows a document id, authors, title, citation, keywords and if existing physical data such as decomposition point.
If the reference is a patent the patent owner, patent country and the patent no. will be also displayed. Patents can be viewed either at Espacenet, the European Patent office, or at USPTO, United States Patent and Trademark Office (only if it is a US patent). Both patent information services are free-of-charge. There is also the possibility to order the article at CISTI (Canada Institute for Scientific and Technical Information) or at subito Library Service and the possibility to view abstract/full paper on publisher's page or order this article via the internal 'LitLink' . To use these services the user has to be registered and there will be a charge for each article ordered.




SPRESI Lookup (Reactions)

This page will be displayed by clicking on the hyperlink >> on the header of each hit on the hit list.
It consists of two parts: it starts with the general information about the hit such as Reaction Regno, Spresi Regno of the reactants and the products, yield and ends with the references. There is up to one reference for each reaction. The reference shows a document id, authors, title, citation, keywords and if existing physical data such as decomposition point.
If the reference is a patent the patent owner, patent country and the patent no. will be also displayed. Patents can be viewed either at Espacenet, the European Patent office, or at USPTO, United States Patent and Trademark Office (only if it is a US patent). Both patent information services are free-of-charge. There is also the possibility to order the article at CISTI (Canada Institute for Scientific and Technical Information) or at subito Library Serviceand the possibility to view abstract/full paper on publisher's page or order this article via the internal 'LitLink' and to search this article in SPRESI. To use these services the user has to be registered and there will be a charge for each article ordered.




SPRESI Lookup (References)

This page will be displayed by clicking on the hyperlink Show me all molecules or >> on the header of each hit on the hit list.
It consists of two parts: it starts with the general information about the reference such as document id, author, title, DOI and citation and number of molecules or reactions mentioned in this reference and ends with the molecules. If the reference is a patent the patent owner, patent country and the patent no. will be also displayed. Patents can be viewed either at Espacenet, the European Patent office, or at USPTO, United States Patent and Trademark Office (only if it is a US patent). Both patent information services are free-of-charge. There is also the possibility to order the article at CISTI (Canada Institute for Scientific and Technical Information) or at subito Library Serviceand the possibility to view abstract/full paper on publisher's page or order this article via the internal 'LitLink' . To use these services the user has to be registered and there will be a charge for each article ordered.
There are up to five molecules on each page. Each molecule shows information such as the molecule data, external links, calculated properties and references.
Molecule data are: molecular formula, molecular weight,Spresi RegNo,more names/synonyms and show physical properties.
Calculated properities are: logP, rotable bonds, H-acceptors and H-donors.
References offers hyperlinks to journal articles, patents and other references.

Exact (Search this molecule as exact structure (Reactions)

Clicking on this icon starts the search for this molecule exactly.

Substructure (Search this molecule as substructure) (Reactions)

Clicking on this icon starts the search for this molecule as substructure.

First Hit (First Hit) (Molecules/Reactions/References)

The SPRESI Lookup of the first hit of the current hit page will be displayed containing up to five references (if search is conducted for molecules) or one reference (if search is conducted for reactions) or five molecules (if search is conducted for references). The navigation can be done only within the same hit page.

Previous Hit (Previous Hit) (Molecules/Reactions/References)

The SPRESI Lookup of the previous hit of the current hit page will be displayed containing up to five references (if search is conducted for molecules) or one reference (if search is conducted for reactions) or five molecules (if search is conducted for references). The navigation can be done only within the same hit page.

Next Hit (Next Hit) (Molecules/Reactions/References)

The SPRESI Lookup of the next hit of the current hit page will be displayed containing up to five references (if search is conducted for molecules) or one reference (if search is conducted for reactions) or five molecules (if search is conducted for references). The navigation can be done only within the same hit page.

Last Hit (Last Hit) (Molecules/Reactions/References)

The SPRESI Lookup of the last hit of the current hit page will be displayed containing up to five references (if search is conducted for molecules) or one reference (if search is conducted for reactions) or five molecules (if search is conducted for references). The navigation can be done only within the same hit page.

Search in SPRESI (Search this article in 'SPRESI') (Molecules/Reactions/References)

Here a search in SPRESIweb will be conducted for all other molecules that are mentioned in the
current reference.

Close Lookup (Close Lookup) (Molecules/Reactions/References)

By clicking on this icon the SPRESI Lookup will be closed.

Help (Help) (Molecules/Reactions/References)

The help file will be opened.

Next five (Next 5 of n total) (Molecules/References)

The next five references (if search is conducted for molecules) or the next five molecules (if search is conducted for references) will be displayed.

Previous five (Previous 5 of n total) (Molecules/References)

The previous five references (if search is conducted for molecules) or the previous five molecules (if search is conducted for references) will be displayed.

Zoom (Zoom) (Molecules/Reactions/References)

By clicking on zoom a window with the enlarged structure (if search is conducted for molecules) or with the enlarged reaction (if search is conducted for reactions) will be displayed with the following options: show query substructure, show stereo information (for molecules/reactions) and additional for reactions show reaction centers and show mapping. It is possible to activate and show mappings and stereo information as well as to remove the highlighting of the reaction centers (red) and query substructures (blue).

Search as Reactant (Search as Reactant) (Molecules/Reactions)

A search for the molecule as reactant will be conducted within the
reaction database.

Search as Product (Search as Product) (Molecules/Reactions)

A search for the molecule as product will be conducted within the
reaction database.

Substructure (Substructure) (Molecules/References)

Here the search for the molecule as substructure will be conducted.




SPRESI Hit List - Printer friendly (Molecules/Reactions/References)

By clicking on the icon Printer friendly of the hit list options the printer version of the current hit list will be displayed without the additional query form and icons.
It consists of two parts: options and hits.

Query Data (Reactions/References)

The query data show the number of hits.

Options (Molecules/Reactions/References):

The printer version of the hit list offers three options: print this page, return to original page and the possibility to navigate through the hit list pages.

Print this page (Print this page) (Molecules/Reactions/References)

By clicking on this icon the current page will be printed.

Return to original page Return to original page (Molecules/Reactions/References)

By clicking on this icon you return to the original SPRESI hit list.

Navigate (Molecules/Reactions/References)

By clicking on the number you can navigate through the hit list pages.

Hits (Molecules/Reactions/References)

Here the hits will be displayed without additional icons.




SSL (Secure Sockets Layer)

SSL means Secure Sockets Layer. It is a standard security protocol to transmit personal data secure via the internet.
SSL encrypts the personal data and creates a secure connection between the user and the server. So all data can be transmitted securely.
By clicking the checkbox SSL on the toolbar SSL will be activated.
URL of web pages that require a SSL connection start with https: instead of http:.