Analyzing compound activity records and promiscuity degrees in light of publication statistics.

ABSTRACT: For the generation of contemporary databases of bioactive compounds, activity information is usually extracted from the scientific literature. However, when activity data are analyzed, source publications are typically no longer taken into consideration. Therefore, compound activity data selected from ChEMBL were traced back to thousands of original publications, activity records including compound, assay, and target information were systematically generated, and their distributions across the literature were determined. In addition, publications were categorized on the basis of activity records. Furthermore, compound promiscuity, defined as the ability of small molecules to specifically interact with multiple target proteins, was analyzed in light of publication statistics, thus adding an

SUBMITTER: Hu Y 

PROVIDER: S-EPMC4916991 | biostudies-literature | 2016

REPOSITORIES: biostudies-literature