David Koes edited section_Compound_Libraries_Unique_to__.tex  about 8 years ago

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\subsection{Provided Libraries}  Large libraries corresponding to compound catalogs from a variety of sources are provided and periodically updated to ensure continued relevance, especially with regard to compound availability from commercial sources. Currently, Pharmit has pre-built libraries generated from CHEMBL20 CHEMBL21  \cite{Gaulton_2011}, with $>1.3$ $>1.4$  million compounds; ChemDiv (\url{www.chemdiv.com}), with $>1.4$ million compounds; MolPort (\url{www.molport.com}), with $>6.5$ million compounds; the NCI Open Chemical Repository (\url{dtp.cancer.gov}), with $>125,000$ $>108,000$  compounds; and PubChem \cite{Kim_2015}, with $>66$ million compounds. Although a search is limited to the compounds of the selected library, all compounds within these provided libraries are cross-annotated so, for example, it is possible to look up the PubChem record of a compound found by searching the commercial MolPort library to check for known bioactivities.