More than 2.5 million structures from the IBM BAO (Business Analytics and Optimization) strategic IP insight platform (SIIP) are now available in PubChem, aggregating data from millions of patents and from the scientific literature through the year 2000. The chemical substances were extracted from the textual content, images, and symbols in patents and literature. The PubChem records link to the IBM web site, where files that list the patent numbers and PubMed IDs for each substance can be downloaded. See more related news...

PubChem updated the compound and substance summary pages to load faster, to include dramatically expanded biomedical annotation, and to give an updated look and feel. For example, the PubChem Compound summary page for aspirin (CID 2244).

A new layer called PubChem3D is added to PubChem to assist with interrelating diverse chemical structures with similar biological efficacies against targets. As a part of this, PubChem computes a 3-D conformer model description for records in the PubChem Compound database when possible (92% of all records when considering the parent compound of salts). A pre-computed search per compound record gives immediate access to a set of 3-D similar compounds (called "Similar Conformers") in PubChem and their respective superpositions. Systematic augmentation of PubChem resources to include a 3-D layer provides users with new capabilities to search, subset, visualize, analyze, and download data. For additional information, please visit the PubChem3D thematic series with the (BMC) Journal of Cheminformatics: http://www.jcheminf.com/series/pubchem3d.

PubChem's information content continues to increase. As of August, 2011, deposited substance records have reached 85 million, representing to over 30 million chemically unique compounds. Deposited bioassay records have reached 500 thousand, representing over 130 million experimental bioactivity results. New substance and bioassay records continue to be deposited, and the PubChem team expects that the steady growth in content and usage seen over the past 7 years will continue.

Structures from AmicBase are now available in PubChem.

PubChem is now providing an enhanced bioactivity analysis tool for retrieving bioassay data for a chemical. The tool can be accessed at http://pubchem.ncbi.nlm.nih.gov/assay/assay.cgi?cid=myCID for a given CID or http://pubchem.ncbi.nlm.nih.gov/assay/assay.cgisid=mySID for a given SID.
E.g. For CID 2244, the link is: http://pubchem.ncbi.nlm.nih.gov/assay/assay.cgi?cid=2244 

To find out a CID associated with bioactive data, you may follow the URL at http://www.ncbi.nlm.nih.gov/pccompound?term=pccompound_pcassay_active[filt]. Similarly, to find out a SID associated with bioactive data, you may follow the URL at http://www.ncbi.nlm.nih.gov/pcsubstance?term=pcsustance_pcassay_active[filt]. You may also go to the advanced search page for PubChem Compound database or Substance database, and followed by making a choice in the "BioAssays" section and clicking the "Go" button.

PubChem released the Identifier Exchange Service. For more information, click here.

The BioAssay data specification has been updated. The changes include:

1. New units in PC-ResultType to facilitate DMPK data submission.
2. A new element "type" in PC-AnnotatedXRef to record primary citation to advertise primary publications of the depositors and the bioassay results.
3. A new element "type" in PC-AssayDRAttr to record experimental vs. calculated dose-response data points.

Please review the update at ftp://ftp.ncbi.nlm.nih.gov/pubchem/data_spec.  

PubChem released two new data analysis tools for the bioassay services - Target and Compound/Substance views for the BioActivity Analysis service. These new tools together with the original bioassay view component will allow users to explore bioactivity data from molecular target, chemical structure, and biological experiment perspectives. For more information, see the related section in the help page.

Structures from Immunology Lab, Department of Biotechnology, Calicut University are now available in PubChem.

Structures from AKos are now available in PubChem.

RNAi screening data and substances from the Drosophila RNAi Screening Center (DRSC) are now available in PubChem.

Structures from ABI Chem are now available in PubChem.

Structures from Alsachim are now available in PubChem.

Structures and bioassay data from UCLA Molecular Screening Shared Resource are now available in PubChem.

All ChEMBL assays have been updated and now point to substances deposited by ChEMBL requested by ChEMBL and ChEBI.

The PubChem BioAssay ASN.1/XML data specification has been updated to include new types of target data under PC-AssayTargetInfo and PC-ResultType. For more details, please refer to ftp://ftp.ncbi.nlm.nih.gov/pubchem/data_spec.

Structures and bioassay data from Abbott are now available in PubChem.