Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 5-6, 2002, Pages 357-369

  Golbraikh, Alexander ^a   Tropsha, Alexander ^a  

^a UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS; STATISTICAL TESTS;

DESCRIPTORS; MODEL DEVELOPMENT; MODEL VALIDATION; MODEL-BASED OPC; PREDICTIVE POWER; PROPERTY; QUANTITATIVE DESCRIPTION; QUANTITATIVE STRUCTURE ACTIVITY; TEST SETS; TRAINING SETS;

BIOACTIVITY;

1 PHENYL 3 AMINO 1,2,3,4 TETRAHYDRONAPHTHALENE [1 PHENYL 3 AMINOTETRALINE]; BENZAZEPINE DERIVATIVE; HISTAMINE H1 RECEPTOR ANTAGONIST; TETRALIN DERIVATIVE; UNCLASSIFIED DRUG; DOPAMINE 1 RECEPTOR; HISTAMINE H1 RECEPTOR;

ACCURACY; BINDING AFFINITY; CHIRALITY; CONTROLLED STUDY; INTERMETHOD COMPARISON; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; PHARMACOPHORE; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; STATISTICAL MODEL; VALIDATION PROCESS; ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM;

ALGORITHMS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, DOPAMINE D1; RECEPTORS, HISTAMINE H1;

EID: 0036589313     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1020869118689     Document Type: Review

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