Enhancement of ordinal CoMFA by ridge logistic partial least squares

Journal of Chemical Information and Modeling

Volumn 48, Issue 4, 2008, Pages 910-917

  Ohgaru, Takanori ^a,b   Shimizu, Ryo ^b   Okamoto, Kosuke ^a   Kawashita, Norihito ^a,c   Kawase, Masaya ^d   Shirakuni, Yuko ^a   Nishikiori, Rika ^d   Takagi, Tatsuya ^a,c  

^a OSAKA UNIVERSITY   (Japan)

^b MITSUBISHI TANABE PHARMA CORPORATION   (Japan)

^c OSAKA UNIVERSITY   (Japan)

^d OSAKA OHTANI UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; DATABASE SYSTEMS; LEAST SQUARES APPROXIMATIONS; MATHEMATICAL MODELS; REGRESSION ANALYSIS; THREE DIMENSIONAL;

COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA); RIDGE LOGISTIC PARTIAL LEAST SQUARES; SCREENING ASSAYS; THREE-DIMENSIONAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (3D-QSAR);

MOLECULAR DYNAMICS;

ARTICLE; CHEMICAL STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; STATISTICAL MODEL;

LEAST-SQUARES ANALYSIS; LOGISTIC MODELS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 44449086985     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700444z     Document Type: Article

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