A method for quantifying and visualizing the diversity of QSAR models

Journal of Molecular Graphics and Modelling

Volumn 22, Issue 4, 2004, Pages 275-284

  Izrailev, Sergei ^a   Agrafiotis, Dimitris K ^a  

^a JOHNSON AND JOHNSON   (United States)

Author keywords

Data mining; Feature selection; Multi dimensional scaling; Nonlinear mapping; Point set similarity; Quantitative structure activity relationships; Stochastic proximity embedding

Indexed keywords

ALGORITHMS; CORRELATION METHODS; FEATURE EXTRACTION; RANDOM PROCESSES;

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSAR); STOCHASTIC PROXIMITY EMBEDDING (SPE);

MOLECULAR STRUCTURE;

ALGORITHM; BIODIVERSITY; CALCULATION; CORRELATION ANALYSIS; MEDICAL INFORMATION; MODEL; MOLECULAR RECOGNITION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; REVIEW; STOCHASTIC MODEL;

EID: 0842289047     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2003.10.001     Document Type: Article

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