The PubChem BioAssay database (http://pubchem.ncbi.nlm.nih.gov) is a public repository for archiving biological test results for small molecules and RNAi reagents. The Bioactivity data in PubChem are generated by HTS screenings, medical chemistry studies, chemical biology experiments as well as by literature extraction projects. The database currently contains 600,000 bioassay depositions, 2.7 million substances, eight thousand protein targets, thirty thousand gene targets, and 190 million bioactivity outcomes. Managing the rich and extremely diverse information at this scale, tracking data deposition and update, providing easy access and data analysis tools to the community all present great challenges to the PubChem project. This talk provides an overview of the development of the BioAssay resource and describes bioassay data models as well as the information system for storing, retrieving and analyzing the bioactivity data.

PubChem BioAssay: A public database for chemical biology data

245th National Meeting (2013)

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