Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChem
Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChem is a scholarly work, published in 2008 in ''Journal of Chemical Information and Modeling''. The main subjects of the publication include cholinesterase inhibitors, chemical space, data mining, data sharing, ChEMBL, computer science, drug discovery, computational biology, information retrieval, cheminformatics, chemical database, virtual screening, in silico, drug design, drug screening, PubChem, and chemistry. Thus, the purpose of the present study was to develop a data mining cheminformatics approach in order to construct a representative and structure-diverse sublibrary from the large PubChem database.