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Journal of Computer-Aided Molecular Design

Volumn 26, Issue 1, 2012, Pages 57-67

Does your model weigh the same as a duck?

(2) Jain, Ajay N a Cleves, Ann E a

a University of California (United States)

Author keywords

Confirmation bias; Correlation fallacy; Docking; Holy Grail; Off targets; QSAR

Indexed keywords

COMPUTER AIDED DRUG DESIGN; CONFIRMATION BIAS; CORRELATION FALLACY; DOCKING; HOLY GRAIL; LIVING SYSTEMS; MATURE FIELDS; OFF-TARGET; QSAR; SMALL MOLECULE SYSTEMS;

COMPUTATIONAL CHEMISTRY;

1 [2 (6 METHYL 2 PYRIDYL)ETHYL] 4 (4 METHYLSULFONYLAMINOBENZOYL)PIPERIDINE; AMPEROZIDE; ASTEMIZOLE; CHLORPHENIRAMINE; CISAPRIDE; CLOFILIUM; DOFETILIDE; DROPERIDOL; GUANOSINE PHOSPHATE; IBUTILIDE; ICARISIDE II; MIBEFRADIL; PROPRANOLOL; PROTEIN INHIBITOR; QUINIDINE; RISOTILIDE; SEMATILIDE; SILDENAFIL; SOTALOL; TADALAFIL; TERFENADINE; THIORIDAZINE; UNCLASSIFIED DRUG;

BINDING AFFINITY; BINDING COMPETITION; COMPUTER AIDED DESIGN; DRUG BINDING SITE; DRUG DETERMINATION; DRUG STRUCTURE; IMAGE ANALYSIS; INTERMETHOD COMPARISON; MATHEMATICAL COMPUTING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; PROBABILITY; PROCESS DEVELOPMENT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; SCORING SYSTEM; STRUCTURE ANALYSIS; SYSTEMATIC ERROR; THREE DIMENSIONAL IMAGING;

EID: 84857448105 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-011-9530-1 Document Type: Review

Times cited : (26)

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