SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correlations with ideal slopes

European Journal of Medicinal Chemistry

Volumn 45, Issue 9, 2010, Pages 3581-3587

  Toropov, A A ^a,b   Toropova, A P ^a,b   Benfenati, E ^b  

^a Institute of Geology and Geophysics   (Uzbekistan)

^b MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

Author keywords

Balance of correlations; Carcinogenicity; Optimal descriptor; QSAR

Indexed keywords

ARTICLE; CALIBRATION; CARCINOGENICITY; MOLECULAR SYSTEMATICS; MONTE CARLO METHOD; PREDICTION; PREDICTOR VARIABLE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMPLIFIED MOLECULAR INPUT LINE ENTRY SYSTEM;

CARCINOGENS; COMPUTATIONAL BIOLOGY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 77955559030     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2010.05.002     Document Type: Article

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