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ChemSpider is presently under maintenance. We are adding new capabilities as we move from beta release. The site is still working but you might experience some issues. Please bear with us.

New Features List

New Features and capabilities are being added on an almost daily basis as well as resolving any reported bugs submitted by ChemSpider users. If youa re interested in our advances please bookmark this page and check back on a regular basis. This page went live on April 12th 2007 and is backdated only to April 4th.

April 25th 2007:
The ability to curate data has been added to ChemSpider. With over 10 million chemical structures and associated meta data in the ChemSpider index there will be errors. As part of the shift for ChemSpider to offer a collaborative environment to the community we have introduced data curation capabilities. In the Details View simply click on the link to Help Curate Data. Discussions will be initiated shortly in regards to returning curated data to PubChem.

April 19th 2007:
Data from the NIST Webbook have been linked to the ChemSpider Index with the permission of the NIST Webbook team.
Data from the NMRSHIFT DB have been directed connected to ChemSpider with the permission of Christoph Steinbeck and his team. Searching a structure in ChemSpider will provide a link in the data sources. This can be navigated into the NMRSHIFT DB record directly as shown below.

April 18th 2007:
New Zoom Mode for Chemical Structure views enabled. In the single record mode simply click on the structure and a new window will open to display a zoomed view of the molecule as shown below

Advanced mode searching now possible - it is possible to search on structure/substructures with properties. One specific workflow of value to mass spectrometrists taking value form this new capability wil be exposed shortly in a technical note.

April 17th 2007: Instructions regarding how to embed the ChemSpider text search into your own webpage are now available. More...

April 16th 2007: Internet Explorer and Firefox Add-ins are now available to add to your browser search engines More...

April 15th 2007: Simple Search Form now posted at the Search page. The simple search screen allows searching based on Systematic Name, Synonym, Trade Name, SMILES string or InChI string. The search works by first searching on the synonym. if nothing is found then it converts the synonym to an InChI string if possible (using ACD/Labs Name to Structure conversion software). If nothing is found using the InChI as the basis of the search then a search is performed using the originally input text to search as a substring of a synonym.

Search add-ins for both Internet Explorer 7 and Firefox have been released to allow users to perform text searches of ChemSpider via browser add-ins.

April 14th 2007:
PubChem Data Sources have been exposed through both the More Details and Single Record mode views of the Search Results.

Notice the Data Source Line now exposed

When the data source line is selected then a new screen is displayed allowing links to be exposed through to all data sources

April 12th 2007:
ChemSpider Manual made available online as a web page rather than only as a PDF file. Visit ChemSpider Manual

Free radicals are now identified with a carat mark.

April 11th 2007: Trivial names, database identifiers and other synonyms can now be viewed in the Single Record view for each structure. Over 9 million trivial names, database IDs and synonyms are indexed on ChemSpider

April 10th 2007: ACD/ChemSketch is integrated into ChemSpider to allow structure/substructure searches and prediction of properties. Read the technical note.

Systematic names, trivial names and synonyms can now be searched as Exact Synonym, Substring and Advanced (SMILES string/InCHI)

April 9th 2007: Monoistopic Masses have been updated and made available to six decimal places

April 8th 2007: Display of deuterium and tritium now enabled for deuterated and tritiated compounds

April 4th 2007: Over 9 million synonyms, trivial names, trade names and database numbers (including EINECS codes, EPA pesticide codes and CHEBI codes) were connected to the ChemSpider database to allow searching. The synonym search can be accessed at the Search page.