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)
(Reset)
Search (menu)
You can search for molecules, reactions and references.
(Molecules)
(Reactions)
(References)
STS (menu)
There are three offered possibilities: new session, open session and delete session.New session
Clicking on this option opens the empty form New STS Query.Open session
Click on the open session option in the STS menu to display the SPRESIweb open tree dialog box. Here you can select a tree from the list and by clicking the icon the selected tree will be displayed.Delete session
Click on the delete session option in the STS menu to display the SPRESIweb delete tree dialog box. Here you can select a tree from the list and delete it by clicking on the icon. Please note: Wait until the deletion is confirmed.Query (menu)
There are four offered possibilities: new, save, open and delete.
(New)
(Save)
(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
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)
(Open)
next to the drop down list the saved hit list can be reopened.
(Delete)
next to the drop down list the hit list can be deleted.
(Import)
the hit list can be uploaded.
(Export)
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)
Help (Menu)
The menu help offers four options: Help, Get Plugins, About... and Your Opinion. The option Help opens the help file. The help file describes all possibilities offered by the database SPRESIweb. Clicking on Get Plugins opens a page with the plugins the user needs to get all possibilities SPRESIweb offers. About... explains the historical background of SPRESIweb. Clicking on Your Opinion opens an evaluation form where the user can send us his opinion about SPRESIweb.
(Help)
(Get Plugins)
(About...)
(Your Opinion)
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)
(Home)
(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)
(New Query)
(History)
(Help)
(Logout)
Dialogs
There are three dialogs for query, STS 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 (Open)
(Help)
(Close Dialog)
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)
(Help)
(Close Dialog)
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 next to the drop down list the query can be deleted.
(Delete)
(Help)
(Close Dialog)
Dialog SPRESIweb Open Tree
Click on the open session option in the STS menu to display the SPRESIweb open tree dialog box. Here a saved tree can be selected from the list of saved trees and by clicking on the icon next to the drop down list the tree can be reopened.Display field
In this drop down list the users saved trees can be seen and selected. (Open Tree)
(Help)
(Close)
Dialog SPRESIweb Save Tree
The last tree can be saved on the server with the desired name. In the input field the name for the tree has to be typed. The input is limited to a maximum of 10 characters. By clicking on the icon with the disk the tree will be saved on the server with the given name.Input field
Here the name for the tree has to be typed. The input is limited to a maximum of 10 characters. (Save tree)
(Help)
(Close)
Dialog SPRESIweb Delete Tree
A saved tree can be deleted.Display field
Here a saved tree can be selected from a list and by clicking on the icon next to the drop down list the tree can be deleted.
(Delete)
(Help)
(Close)
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)
(Help)
(Close Dialog)
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)
(Help)
(Close Dialog)
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 next to the drop down list the hit list can be deleted.
(Delete)
(Help)
(Close Dialog)
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 the hit list will be uploaded.
(Browse)
By clicking on this button you can browse through your saved files. (Upload)
(Help)
(Close Dialog)
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 next to the drop down list the hit list can be downloaded.
(Download)
(Help)
(Close Dialog)
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)
(Close Dialog)
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 |
| For numeric values: |
| = |
| > |
| < |
| >= |
| <= |
| between |
| For names: |
| equals |
| contains | begins with |
| ends with. |
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.
in the lower right corner of the drawing area. The drawn structure has to be transferred from the editor into the query form. If the structure is drawn in ISIS/Draw the book button on the top of the left corner has to be clicked. If using the ICEDIT or ChemDraw the transfer button has to be clicked.
and edited by clicking on the icon . the whole information of the query form can be deleted. By clicking 
the search will be started and the hit list page will be displayed.
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 |
| For numeric values: |
| = |
| > |
| < |
| >= |
| <= |
| between |
| For names: |
| equals |
| contains | begins with |
| ends with. |
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. in the lower right corner of the drawing area. The drawn reaction has to be transferred from the editor into the query form. If the reaction is drawn in ISIS/Draw the book button on the top of the left corner has to be clicked. If using the ICEDIT or ChemDraw the transfer button has to be clicked. and edited by clicking on the icon . the whole information of the query form can be deleted. By clicking the search will be started and the hit list page will be displayed.
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 |
| = |
| < |
| > |
| <= |
| >= |
| between |
| equals |
| contains |
| begins with |
| ends with |
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 whole information of the search form can be deleted. By clicking the button 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 |
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 |
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 |
Logical Operator (Reactions/Molecules)
This drop down list comprises the following operators:| For numeric values: |
| = |
| > |
| < |
| >= |
| <= |
| between |
| For names: |
| equals |
| contains | begins with |
| ends with. |
Logical Operator (References)
This drop down list comprises the following operators:| = |
| < |
| > |
| <= |
| >= |
| between |
| equals |
| contains |
| begins with |
| ends with |
Input field (Molecules/Reactions/References)
In this text field the user has to type the search value. Index (Molecules/Reactions/References)
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.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.Choose editor (Molecules/Reactions)
Three editors to draw the structure (if you search for molecules) or reactions (if you search for reactions) are available: ICEDIT, ISIS/Draw and ChemDraw. To select one editor the radio button in front of the editor name has to be marked. The selected editor can be started by clicking on the icon at the lower right corner of the drawing area.
ISIS/Draw (Molecules/Reactions)
To use ISIS/Draw as an editor ISIS/Draw has to be installed on your computer. The InfoChem Plugin also has to be installed. This plugin icclient_setup.zip can be downloaded using the link Get Plugins in the menu help. in the lower right corner of the drawing area. The drawn structure (if you search for molecules) or reaction (if you search for reactions) has to be transferred from the editor into the query form. If the structure (if you search for molecules) or reaction (if you search for reactions) is drawn in ISIS/Draw the book button on the top of the left corner has to be clicked.
ChemDraw (Molecules/Reactions)
To use ChemDraw as editor a fully-licensed version (6.0,8.0 or 9.0) of ChemDraw or ChemOffice has to be installed on your computer. in the lower right corner of the drawing area. The drawn structure (if you search for molecules) or reaction (if you search for reactions) has to be transferred from the editor into the query form. If using ChemDraw the transfer button has to be clicked.
in the lower right corner of the drawing area. The drawn structure (if you search for molecules) or reaction (if you search for reactions) has to be transferred from the editor into the query form. If using the ICEDIT the transfer button has to be clicked.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) (Molecules/Reactions)
(Zoom) (Molecules/Reactions)
(Start editor) (Molecules/Reactions)
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) (Molecules/Reactions/References)
Search (Molecules/Reactions/References)
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.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. 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.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. 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.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.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) (Molecules/Reactions/References)
(Open Query) (Molecules/Reactions/References)
next to the drop down list the saved query can be reopened.
(Help) (Molecules/Reactions/References)
(Modify Query) (Molecules/Reactions/References)
(New Query) (Molecules/Reactions/References)
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) (Molecules/Reactions/References)
(Open Hit list) (Molecules/Reactions/References)
next to the drop down list the saved hit list can be reopened. (Help) (Molecules/Reactions/References)
(Select all) (Molecules/Reactions/References)
. To select single hits you have to mark each checkbox next to the name individually.
(Deselect all) (Molecules/Reactions/References)
. 
(Printer friendly) (Molecules/Reactions/References)
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) (Molecules/Reactions)
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) (Molecules/Reactions/References)
(Download SD File) (Molecules)
(Download RD File) (Reactions)
(Download BibTeX File) (References)
(PDF) (Molecules/Reactions/References)
(EndNote Format) (References)
(WISTRACT) (References)
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 searched in the databases of ChemNavigator or the molfile or sts 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, show details (only first 100 references) or use ACD/I-Lab for Predictions. 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.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.Compact Hit (Reactions)
All hits are characterized by the Reaction Regno, reaction, the option zoom and the option 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 'TIBORDER', 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 and ordered via MicroPatent. 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 recations 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.External links (Molecules/References)
External links are: use ACD/I-Lab for Predictions or search in ChemNavigatorCalculated 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) (Molecules)
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.Use ACD/I-Lab for Predictions (Molecules/ References)
Clicking on the hyperlink Use ACD/I-Lab for Predictions opens a window I-Lab Start calculations in I-Lab where you can select further options. By clicking on the buttons go, you will be taken to the web site I-Lab of ACD. To use this application you'll need an account.Search in ChemNavigator (Molecules/References)
Clicking on this hyperlinks starts the search for the current molecule (if search is conducted for molecules) in the databases of ChemNavigator. To use this program you have to register and become a member. There will be a charge for each search. For details please check the information provided by ChemNavigator. To test ChemNavigator you can get a limited test user account for free.
(ChemNavigator)(Reactions)
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 (Details) (Reactions)
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. (Zoom) (Molecules/Reactions)
(Search as Reactant) (Molecules/Reactions)
(Search as Product) (Molecules/Reactions)
(Substructure) (Molecules/Reactions)
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) (References)
(STS) (Molecules)
(Molfile) (Molecules/ References)
(Error) (Molecules/Reactions/References)
icon.
(Report incorrect data) (Molecules/Reactions/References)
Data errors can be immediately reported to InfoChem simply by clicking the hyperlink Report incorrect data.
(Similar) (Reactions)
>> 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 Patent in 'Espacenet') (References/Molecules/Reactions)
(View Patent in 'US Patent & Trademark Office') (References/Molecules/Reactions)
(Order Patent via 'MicroPatent') (References/Molecules/Reactions)
(Order this article from 'TIBORDER') (Molecules/Reactions/References)
By clicking on TIBORDER the catalogue of the TIB, the German National Library of Science and Technology will be displayed. The TIBORDER catalogue provides access and document delivery to about 17,700 periodicals. You have to be a member to use this service. There will be a charge for each article ordered. All data of the article will be filled in automatically into the order form of TIBORDER. For more details please check the information about TIBORDER provided by the University of Hannover. (Order article from CISTI) (Molecules/Reactions/References)
(Order article via subito) (Molecules/Reactions/References)
(Order this article via the internal 'LitLink') (Molecules/Reactions/References)
(View abstract/full paper on publisher's page) (Molecules/Reactions/References)
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 theDetails icon in the hit list.SPRESI Lookup (Reactions)
This page will be displayed by clicking on the hyperlink >> on the header of each hit on the hit list.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.
(Search this molecule as exact structure (Reactions)
(Search this molecule as substructure) (Reactions)
(First Hit) (Molecules/Reactions/References)
(Previous Hit) (Molecules/Reactions/References)
(Next Hit) (Molecules/Reactions/References)
(Last Hit) (Molecules/Reactions/References)
(Search this article in 'SPRESI') (Molecules/Reactions/References)
(Close Lookup) (Molecules/Reactions/References)
(Help) (Molecules/Reactions/References)
(Next 5 of n total) (Molecules/References)
(Previous 5 of n total) (Molecules/References)
(Zoom) (Molecules/Reactions/References)
(Search as Reactant) (Molecules/Reactions)
(Search as Product) (Molecules/Reactions)
(Substructure) (Molecules/References)
(Search in ChemNavigator) (Molecules/Reactions/References)
Clicking on this hyperlink starts the search for the current molecule (if search is conducted for molecules or references) or for the marked molecule (if search is conducted for reactions) in the databases of ChemNavigator. To use this program you have to register and become a member. There will be a charge for each search. For details please check the information provided by ChemNavigator. To use ChemnNavigator you can get a limited test user account for free.STS
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SPRESI Hit List - Printer friendly (Molecules/Reactions/References)
By clicking on the icon of the hit list options the printer version of the current hit list will be displayed without the additional query form and icons. 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) (Molecules/Reactions/References)
Return to original page (Molecules/Reactions/References)
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.New STS Query (form)
Click on New session in the STS menu to display the form New STS 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 |
| Melting Point |
| Boiling Point |
| Sublimation Point |
| Decomposition Point |
| Transition Temperature |
| Dissociation Constant |
| Density |
| Optical Rotation |
| Refractive Index |
| Molecular Formula |
| Molecular Formula Flexible |
| Molecular Weight |
| Keywords |
| Author |
| Year |
| Patent Owner |
| Patent Number |
| Patent Country |
| Hit List |
| For numeric values: |
| = |
| > |
| < |
| >= |
| <= |
| between |
| For names: |
| equals |
| contains | begins with |
| ends with. |
next to the text field to display the relevant index. There you can select the value by clicking on it or you can browse through the index list and go 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 the text field field. For STS the index list will be offered for all values except molecular formula, patent owner, year and patent country. The possible values for the year and patent country can be viewed in the quickhelp. in the lower right corner of the drawing area. The drawn structure has to be transferred from the editor into the query form. If the structure is drawn in ISIS/Draw the book button on the top of the left corner has to be clicked. If using the Java Applet, ICEDIT or ChemDraw the transfer button has to be clicked. and edited by clicking on the icon . the whole information of the query form can be deleted. By clicking the search will be started and the intermediate page Molecule Selection will be displayed.
Search Options (drop down list)
For STS:
The drop down list comprises the following options:| Basic Index |
| Name |
| Trivial Name |
| SPRESI Regno |
| Melting Point |
| Boiling Point |
| Sublimation Point |
| Decomposition Point |
| Transition Temperature |
| Dissociation Constant |
| Density |
| Optical Rotation |
| Refractive Index |
| Molecular Formula |
| Molecular Formula Flexible |
| Molecular Weight |
| Keywords |
| Author |
| Year |
| Patent Owner |
| Patent Number |
| Patent Country |
| Hit List |
Logical Operator (STS)
This drop down list comprises the following operators:| For numeric values: |
| = |
| > |
| < |
| >= |
| <= |
| between |
| For names: |
| equals |
| contains | begins with |
| ends with. |
Input field (STS)
In this text field the user has to type the search value. Index (STS)
the index list will be opened. There you can select the value by clicking on it or you can browse through the index list and go 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 STS the index list will be offered for all values except molecular formula, patent owner, year and patent country. The possible values for the year and patent country can be viewed in the quickhelp
Combine Operator (STS)
There are the options: and, or and not to combine the two text search lines. And means the hits of both query lines will be intersected, or means that the hits are combined and not excludes the hits of the second query line.Include Structure (STS)
To include the drawn structures the checkbox has to be marked.Combine Operator (STS)
To combine the data search with the structure and has to be selected.Search Options (STS)
Here the user has the choice between substructure, exact structure, parent search, tautomer search, isomer search and flex match.Choose editor (STS)
Four editors to draw the structure are available: ISIS/Draw, Java Applet, ChemDraw and ICEDIT. To select one editor the radio button in front of the editor name has to be marked. The selected editor can be started by clicking on the icon at the lower right corner of the drawing area.
ISIS/Draw (STS)
To use ISIS/Draw as editor ISIS/Draw has to be installed on your computer. The InfoChem Plugin also has to be installed. This plugin icclient.zip can be downloaded using the link Get Plugins in the menu help. in the lower right corner of the drawing area. The drawn structure have to be transferred from the editor into the query form. If the structure is drawn in ISIS/Draw the book button on the top of the left corner has to be clicked.
Java Applet (STS)
The Java Applet is available without any additional installation. in the lower right corner of the drawing area. The drawn structure has to be transferred from the editor into the query form. If using the Java Applet the transfer button has to be clicked.
ChemDraw (STS)
To use ChemDraw as editor a fully-licensed version (6.0,8.0 or 9.0) of ChemDraw or ChemOffice has to be installed on your computer. in the lower right corner of the drawing area. The drawn structure as to be transferred from the editor into the query form. If using ChemDraw the transfer button has to be clicked.
in the lower right corner of the drawing area. The drawn structure has to be transferred from the editor into the query form. If using the ICEDIT the transfer button has to be clicked.
Drawing Area (STS)
Here the structure will be displayed as search criterion. (Help) (STS)
(Zoom) (STS)
(Start editor) (STS)
(Reset) (STS)
Search (STS)
Show Quickhelp (STS)
To view a short description of the offered search fields this checkbox has to be checked.Molecule Selection - Synthesis Tree Search (form)
The page Molecule Selection consists of four parts: the navigation bar with the number of pages, the hits, the specification of start reaction and the mode selection.Hit page - Navigation bar - Molecule Selection (STS)
The navigation bar consists of the current hit page, the number of hit pages and the possibility is offered to jump directly to any hit page is offered.Number of page (STS)
The current number of hit page will be displayed.Total (STS)
Here the number of all available hit pages will be displayed.Go to page (STS)
Here you can type the number of the hit page you want to jump to. Help (STS)
(STS)
(STS)
(STS)
(STS)
Hits (STS)
If more than one hit is found, you have to choose a molecule by marking the molecule with the radio button.Additional criteria for reaction (STS)
Two query lines exist for limitation the first set of reactions obtained for the starting molecule. Note: For all subsequent reaction searches the chosen limitations are not valid anymore. For each query line you can specify a operator from a drop down list containing the following combine operators: and, or and not.And means the hit lists are intersected, or means that the hits are combined and not excludes the hits of the second query line. In a second field a drop down list is available containing the following options:| Yield |
| Reaction Conditions |
| Catalysts, Solvents |
| For numeric values: |
| = |
| > |
| < |
| >= |
| <= |
| For names: |
| between |
| equals |
| contains | begins with |
| ends with. |
the index list will be opened. There you can select the value by clicking on it or you can browse through the index list and go 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 .
The index list will be offered for the field Reaction Conditions and the field Catalysts, Solvents.
Combine Operator (STS)
There are the options: and, or and not to combine the two text search lines.And means the hits of both query lines will be intersected, or means that the hits are combined and not excludes the hits of the second query line.Search Options (STS)
The drop down list comprises the following options: Yield, Reaction Conditions, Catalysts/ Solvents.Logical Operator (STS)
| For numeric values: |
| = |
| > |
| < |
| >= |
| <= |
| For names: |
| between |
| equals |
| contains | begins with |
| ends with. |
Input field (STS))
In this text field the user has to type the search value. Index (STS)
the index list will be opened. There you can select the value by clicking on it or you can browse through the index list and go 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 .Molecule as product (STS)
To select this mode the radio button Molecule as product has to be marked.Molecule as product means that the search will be carried out for synthesis reactions that have the selected molecule as product.Molecule as reactant (STS)
To select this mode the radio button Molecule as reactant has to be marked.Molecule as reactant means that the search will be carried out for synthesis reactions where the selected molecule is the reactant. Reset (STS)
Search (STS)
Synthesis Reactions (STS)
All synthesis reactions will be displayed depending on the mode chosen. The display consists of two parts: The navigation bar and the synthesis reactions that lead to the product (if the mode Molecule as product is selected) or the synthesis reactions with the target molecule as reactant (if the mode Molecule as reactant is selected). in the navigation bar. in the navigation bar.
Hit page- Navigation bar -Synthesis Reactions (STS)
The navigation bar consists of: Back to start, the current hit page, the number of hit pages, the possibility to jump directly to any hit page, the possibility to view Tree Overview and to open the online help.
Back to start (STS)
Number of page (STS)
The number of the current hit page is displayed.Total (STS)
Here the number of all available hit pages is displayed.Go to page (STS)
Here you can type the number of the hit page you want to jump to. View Tree Overview (STS)
Help (STS)
(STS)
(STS)
(STS)
(STS)
Hits - Synthesis Reactions (STS)
The hits are the synthesis reactions in which the selected molecule is the product or the reactant, depending on which mode (Molecule as product or Molecule as reactant) was selected. If you click on the structure you get more options in a context menu.Add molecule to Tree Overview (help) (STS)
Clicking on this hyperlink adds the selected molecule to the Tree Overview. After the page has been reloaded, the molecule will be highlighted in blue.Add molecules to Tree Overview and find more reactant reactions for this molecule (help) (STS)
Clicking on this hyperlink adds the selected molecules to the Tree Overview and another reactant reaction search will be started for that molecule.Add molecule to Tree Overview and find more synthesis reactions for this molecule (help) (STS)
Clicking on this hyperlink adds the selected molecule to the Tree Overview and another synthesis reaction search will be started for that molecule.Show molecule details (STS)
Clicking on this hyperlink starts the normal reaction search for molecules within the SPRESIweb Database.Zoom molecule (STS)
Clicking on this hyperlink enlarges the structure.Close this menu (STS)
Clicking on this hyperlink closes the menu.Details (STS)
Clicking on this hyperlink starts the normal search for reactions within the SPRESIweb Database.Tree Overview (STS)
The Tree Overview is the central hub of STS. From here any functionality within STS can be started.Navigation bar -Tree Overview (STS)
The navigation bar consists of the option go to molecule selection, name of STS session, save session, open session, delete session and help. Back to start (STS)
STS session (STS)
Here the name of the current STS session is displayed. Save session (STS)
Open session (STS)
Delete session (STS)
Help (STS)
Overview of the selected reactions (STS)
If you click on a structure within the tree a context menu will be opened with the following options (if the mode Molecule as product is selected):Show all synthesis reactions (STS)
All synthesis reaction of the selected molecule will be displayed. This option is available if the mode is Molecule as product.Show all reactant reactions (STS)
All reactant reaction of the selected molecule will be displayed. This option is available if the mode is Molecule as reactant.Show this reaction (STS)
The page Synthesis Path with new options will be displayed containing the selected reaction.Show synthesis path to target (STS)
The page Synthesis Path will be displayed with all reactions along the selected path. This option is available if the mode is Molecule as product.Show synthesis path to this structure (STS)
The page Synthesis Path will be displayed with all reactions along the selected path. This option is available if the mode is Molecule as reactant.Show alternative reactions for step (STS)
The page Alternative Reactions with new options will be displayed for the selected reaction. This option enables you to search for all reactions in SPRESIweb having the same reactant and product. This so called alternative reactions will be listed in an intermediate page where you can select another reaction that will replace the old one in the synthesis tree. Since reactant and product do not change, there are no changes apparent in the Tree Overview.Remove this molecule from tree (STS)
The selected molecule will be removed from the Tree Overview. Note: Removing one molecule automatically will remove all reactions leading/origing to/from that molecule as well (Molecule as product/Molecule as reactant).Show molecule details (STS)
A normal molecule search within the SPRESIweb Database will be conducted.Zoom this molecule (STS)
Clicking on this hyperlink enlarges the structure.Close this menu (STS)
Clicking on this hyperlink closes the menu.Synthesis Path (STS)
The page Synthesis Path displays either a single reaction or multiple reactions depending on which option is chosen for the molecule within the Tree Overview.Hit page - Navigation bar - Synthesis Path (STS)
The navigation bar consists of: back to start, the number of reactions, the possibility to view the Tree Overview and a hyperlink leading to the online help. Back to start (STS)
Number of Reactions (STS)
The number of reactions contained in the synthesis path is displayed. View Tree Overview (STS)
Help (STS)
Hits (STS)
The reactions along the selected path will be displayed. Clicking on a molecule of this reaction will open a new menu with the following options:Add molecule to Tree Overview (help) (STS)
Clicking on this hyperlink adds the selected molecule to the Tree Overview. After the page is reloaded the respective structure will be highlighted. Please note: This option is only available if the mode is Molecule as product.Show molecule details (STS)
Clicking on this hyperlink starts the normal search for molecules within the SPRESIweb Database.Zoom molecule (STS)
Clicking on this hyperlink enlarges the structure.Close this menu (STS)
Clicking on this hyperlink closes the context menu.Details (STS)
Clicking on this hyperlink starts the normal search for reactions within the SPRESIweb Database. There is also the option to click on Step to start the normal search for reactions within the SPRESIweb Database.Alternative Reactions (STS)
The page Alternative Reactions will be displayed if the hyperlink Show alternative reactions for steps in the Tree Overview is clicked.Hit page - Navigation bar - Alternative Reactions (STS)
The navigation bar consists of: back to start, the number of hit pages, the possibility to jump directly to any hit page, the possibility to view Tree Overview and the hyperlink to the online help. Back to start (STS)
Number of page (STS)
The number of the current hit page is displayed.Total (STS)
The number of all available hit pages is displayed.Go to page (STS)
Here you can type the number of the hit page you want to jump to. View Tree Overview (STS)
Help (STS)
(STS)
(STS)
(STS)
(STS)
Hits (STS)
The reactions with a specified reactant and product will be displayed.Set this reaction and return to Tree Overview (Help) (STS)
By clicking on this hyperlink the selected alternative reaction will be set and the view will return to the Tree Overview. Please note:In the Tree Overview there will be no change noticeable. If you want to verify that the new reaction has been set, click the option Show this reaction in the Tree Overview.Show molecule details (STS)
Clicking on this hyperlink starts the normal search for molecules within the SPRESIweb Database.Zoom molecule (STS)
Clicking on this hyperlink enlarges the structure.Close this menu (STS)
Clicking on this hyperlink closes the menu.Details (STS)
Clicking on this hyperlink starts the normal search for reactions within the SPRESIweb Database.Molecule details (STS)
Clicking on this hyperlink in the context menu of the product starts the normal search for reactions within the SPRESIweb Database.