Measuring CAMD technique performance: A virtual screening case study in the design of validation experiments

Journal of Computer-Aided Molecular Design

Volumn 18, Issue 7-9, 2004, Pages 529-536

  Good, Andrew C ^a   Hermsmeier, Mark A ^a   Hindle, S A ^b  

^a BRISTOL MYERS SQUIBB   (United States)

^b BioSolveIT GmbH   (Germany)

Author keywords

Atom pairs; Chemotypes; Daylight; Fingerprints; Ftrees; Pharmacophores; Validation; Virtual screening

Indexed keywords

VIRTUAL ADDRESSES;

ATOM PAIR; CHEMOTYPES; DAYLIGHT; DESCRIPTORS; FINGERPRINT; FTREES; PERFORMANCE; PHARMACOPHORES; VALIDATION; VIRTUAL SCREENING;

COMPUTATIONAL CHEMISTRY;

CYCLIN DEPENDENT KINASE 2; G PROTEIN COUPLED RECEPTOR; MELATONIN RECEPTOR; SERINE PROTEINASE;

ALGORITHM; ANALYTIC METHOD; ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; DATA ANALYSIS; MATHEMATICAL ANALYSIS; PRIORITY JOURNAL; PROTEIN TARGETING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCREENING TEST; THREE DIMENSIONAL IMAGING; VALIDATION PROCESS;

EID: 20844436604     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10822-004-4067-1     Document Type: Article

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