PubChem Gets More Data | Chemical & Engineering News
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Web Date: December 13, 2011

PubChem Gets More Data

Research: IBM contributes information on more than 2.4 million compounds to NIH chemical database
Department: Government & Policy
Keywords: PubChem, IBM, chemical database

IBM announced plans to give the National Institutes of Health a database of more than 2.4 million chemical compounds. NIH will add this information to PubChem, a freely available database of chemical structures of small organic molecules and information on their biological activities.

The chemical compound data was pulled from about 4.7 million patents and 11 million biomedical journal abstracts from 1976–2000. According to IBM, the newly compiled data will help researches more easily visualize important relationships among chemical compounds and aid in drug discovery.

The database created by IBM was done in collaboration with AstraZeneca, Bristol-Myers Squibb, DuPont, and Pfizer. The compound data was extracted using IBM’s strategic IP insight platform, a combination of data and analytics delivered by the IBM SmartCloud. The platform uses techniques such as automatic image analysis and enhanced optical recognition of chemical images and symbols.

Click here to watch a video about the platform.

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Ramnath (December 14, 2011 5:18 AM)
Really we can get everything on one portal
Robert Buntrock (December 15, 2011 11:18 AM)
Interesting development but hardly providing "everything". The data range on the patents, presumably US, is not given and the date rtange on the publications is rather narrow. I'm waiting for a PubChem announcement about how many of these compounds are unique to the existing PubChem holdings since many to most are probably already present. PubChem has many contributers and the compounds submitted and much of the data is redundant. This would appear to be a large scale demo of the IBM platform.

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