Ontology highlight
ABSTRACT:
SUBMITTER: Southan C
PROVIDER: S-EPMC3916886 | biostudies-literature | 2013 Dec
REPOSITORIES: biostudies-literature
Southan Christopher C Sitzmann Markus M Muresan Sorel S
Molecular informatics 20131211 11-12
ChEMBL, DrugBank, Human Metabolome Database and the Therapeutic Target Database are resources of curated chemistry-to-protein relationships widely used in the chemogenomic arena. In this work we have extended an earlier analysis (PMID 22821596) by comparing chemistry and protein target content between 2010 and 2013. For the former, details are presented for overlaps and differences, statistics of stereochemistry as well as stereo representation and MW profiles between the four databases. For 201 ...[more]