Comparison of confirmed inactive and randomly selected compounds as negative training examples in support vector machine-based virtual screening

Journal of Chemical Information and Modeling

Volumn 53, Issue 7, 2013, Pages 1595-1601

  Heikamp, Kathrin ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BENCHMARKING; DATABASE SYSTEMS; E-LEARNING;

BIOLOGICAL SCREENING; CHEMOINFORMATICS; SVM MODEL; TRAINING DATA; TRAINING EXAMPLE; TRAINING SETS; VIRTUAL SCREENING;

SUPPORT VECTOR MACHINES;

ARTICLE; COMPARATIVE STUDY; COMPUTER INTERFACE; DATA MINING; DRUG DATABASE; DRUG SCREENING; METHODOLOGY; SUPPORT VECTOR MACHINE; PROCEDURES;

DATA MINING; DATABASES, PHARMACEUTICAL; DRUG EVALUATION, PRECLINICAL; SUPPORT VECTOR MACHINES; USER-COMPUTER INTERFACE;

EID: 84880544842     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci4002712     Document Type: Article

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