In silico ADME/Tox: Why models fail

Journal of Computer-Aided Molecular Design

Volumn 17, Issue 2-4, 2003, Pages 83-92

  Stouch, Terry R ^a   Kenyon, James R ^a   Johnson, Stephen R ^a   Chen, Xue Qing ^a   Doweyko, Arthur ^a   Li, Yi ^a  

^a BRISTOL MYERS SQUIBB PHARMACEUTICAL RESEARCH INSTITUTE   (United States)

Author keywords

2D6; ADME; Drug Design; HERG; In silico; Permeation; QSAR; Solubility; Validation

Indexed keywords

PERMEATION;

2D6; ADME; ADME-TOX; DRUG DESIGN; HERG; IN-SILICO; MODELING PROCEDURE; QSAR; TIME MODELING; VALIDATION;

COMPUTATIONAL CHEMISTRY;

CYTOCHROME P450; DRUG;

ARTICLE; COMPUTER AIDED DESIGN; COMPUTER MODEL; CONTROLLED STUDY; DRUG ABSORPTION; DRUG DESIGN; DRUG DISTRIBUTION; DRUG EXCRETION; DRUG METABOLISM; DRUG STRUCTURE; INTERMETHOD COMPARISON; LINEAR REGRESSION ANALYSIS; MATHEMATICAL COMPUTING; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; TOXICITY; VALIDATION PROCESS;

EID: 0042416598     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1025358319677     Document Type: Article

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