Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: Comparison versus other 2D- and 3D-descriptors

Bioorganic and Medicinal Chemistry

Volumn 15, Issue 19, 2007, Pages 6450-6462

  Sciabola, Simone ^a   Carosati, Emanuele ^a   Cucurull Sanchez, Lourdes ^b   Baroni, Massimo ^c   Mannhold, Raimund ^d  

^a UNIVERSITY OF PERUGIA   (Italy)

^b PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United Kingdom)

^c Molecular Discovery Ltd   (United Kingdom)

^d HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

2D descriptors; 3D descriptors; Cell apoptosis; Pharmacophores; QSAR

Indexed keywords

CHROMENE DERIVATIVE;

APOPTOSIS; ARTICLE; CELL STRAIN HL 60; DATA ANALYSIS SOFTWARE; EVALUATION; EXTERNAL VALIDITY; HUMAN; HUMAN CELL; INTERNAL VALIDITY; PARTIAL LEAST SQUARES REGRESSION; PERFORMANCE; PHARMACOPHORE; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; TRIPLETS OF PHARMACOPHORIC POINTS;

ALGORITHMS; APOPTOSIS; BENZOPYRANS; CELL LINE, TUMOR; DATA INTERPRETATION, STATISTICAL; DRUG DESIGN; HUMANS; MODELS, MOLECULAR; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; STEREOISOMERISM;

EID: 34547685943     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2007.06.051     Document Type: Article

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