PubChem organizes this vast amount of data into three inter- linked databases: Substance, Compound and BioAssay (see Figure 1). As of September 2015, it has more than 157 million depositor-provided chemical substance descriptions, 60 million unique chemical structures and 1 million biological assay descriptions, covering about 10 thousand unique protein target sequences. PubChem contains one of the largest corpus of publicly available chemical information. Since launched in 2004 as a component of the Molecular Libraries Roadmap Initiatives of the US National Institutes of Health (NIH), Pub- Chem has rapidly grown to a key chemical information resource that serves scientific communities in many areas such as cheminformatics, chemical biology, medicinal chemistry and drug discovery. () (1–6) is a public repository for information on chemical substances and their biological activities.
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