Methods for computer-aided chemical biology. Part 1: Design of a benchmark system for the evaluation of compound selectivity

Chemical Biology and Drug Design

Volumn 70, Issue 3, 2007, Pages 182-194

  Stumpfe, Dagmar ^a   Ahmed, Hany E A ^a   Vogt, Ingo ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Chemical biology; Chemical genetics; Chemoinformatics; Compound selectivity; Computational methods; Drug targets; Molecular probes; Target families

Indexed keywords

CATHEPSIN INHIBITOR; G PROTEIN COUPLED RECEPTOR ANTAGONIST; PROTEIN INHIBITOR; TRYPSIN LIKE PROTEASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BIOLOGY; COMPUTER AIDED DESIGN; PRIORITY JOURNAL;

CARBON; COMPUTATIONAL BIOLOGY; DRUG DESIGN; MOLECULAR STRUCTURE; SOFTWARE DESIGN;

EID: 34548180374     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2007.00554.x     Document Type: Article

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