David Koes edited section_Compound_Libraries_Unique_to__.tex  about 8 years ago

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\section{Compound Libraries}  Unique to Pharmit is the ability to select from a number of provided compound libraries or to submit a custom library for screening. The library to screen is selected through a pull down menu in the search button, as shown in Figure~\ref{mainfig}. \subsection{Provided Libraries}  Large libraries corresponding to compound catalogs from a variety of sources are provided and periodically updated to ensure continued relevance, especially as with regards to compound availability from commercial sources. Currently,the  Pharmit has pre-built libraries generated from CHEMBL2.0 \cite{Gaulton_2011}, ChemDiv, ChemDiv (\hyperref[http://www.chemdiv.com/]{www.chemdiv.com}),  MolPort, NCI Open Chemical Repository, and PubChem,     Although a search is limited to the compounds of the selected library, all compounds within the provided libraries are cross-annotated so, for example, it is possible to look up the PubChem record of a compound found by searching the MolPort library.  as well as several publicly available user-contributed libraries and any public or private libraries the user has personally submitted using the "create" menu accessible from the pharmit main page. Once a database is selected, pressing the search button initiates the search.   \subsection{Library Creation}