PubChem: Integrated Platform of Small Molecules and Biological Activities

By Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant. 2008

1,195 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Molecular Biology

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In Molecular Biology

Citations in the corpus

PubChem's BioAssay Database (2011, methodology): “Detailed description for making an effective Entrez bioassay query has been described previously (1,3) and will be further described below.”
PubChem3D: Shape compatibility filtering using molecular shape quadrupoles (2011, background): “Background PubChem is an open and free resource of the biological activities of small molecules [1-4].”
Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis (2012, background): “Background PubChem [1-4] is a public repository for biological activities of small molecules, consisting of three primary databases: PubChem Substance, PubChem Compound, and PubChem BioAssay.”
PDB-wide collection of binding data: current status of the PDBbind database (2015, methodology): “Under mutual agreement, users can also find the binding data provided by PDBbind on the Web pages of PDB, PDBsum and PubChem.”
The PubChem chemical structure sketcher (2009, background): “However, with the addition of the PubChem[2] suite of databases, an obvious problem arose.”
The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands (2015, background): “portantly, anyone else) can generate a detailed analysis of our content (14,15).”
The ChEBI reference database and ontology for biologically relevant chemistry: enhancements for 2013 (2012, methodology): “To facilitate access to this information, our PubChem cross-references, along with other automatically aggregated cross-references to resources such as UniProt (25), IntAct (26) and SABIO-RK (27), are available on the ‘Automatic Xrefs’ tab of the ChEBI web display and are updated with every monthly ”
PubChem3D: Conformer generation (2011, background): “PubChem [1-4] is an open archive for the biological activities of small molecules.”
PubChem3D: a new resource for scientists (2011, methodology): “PubChem [1-4](http://pubchem.ncbi.nlm.nih.gov) is an open repository for small molecules and their experimental biological activities.”