Generation and validation of the first predictive pharmacophore model for cyclin-dependent kinase 9 inhibitors

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 6, 2011, Pages 800-808

  Fang, Cheng ^a   Xiao, Zhiyan ^a   Guo, Zongru ^a  

^a INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

CDK9 inhibitors; Model validation; Predictive pharmacophore models; Rational selection of training sets; Virtual screening

Indexed keywords

CDK9 INHIBITORS; MODEL VALIDATION; PREDICTIVE PHARMACOPHORE MODELS; RATIONAL SELECTION OF TRAINING SETS; VIRTUAL SCREENING;

E-LEARNING; ENZYMES; PHARMACODYNAMICS; PRINCIPAL COMPONENT ANALYSIS;

THREE DIMENSIONAL;

CYCLIN DEPENDENT KINASE 9; CYCLIN DEPENDENT KINASE 9 INHIBITOR; CYCLIN DEPENDENT KINASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; DRUG POTENCY; DRUG SCREENING; ENZYME INHIBITION; PHARMACOPHORE; PREDICTION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION STUDY;

ALGORITHMS; ANTINEOPLASTIC AGENTS; CYCLIN-DEPENDENT KINASE 9; DRUG DISCOVERY; ENZYME INHIBITORS; MODELS, CHEMICAL; MODELS, MOLECULAR; PRINCIPAL COMPONENT ANALYSIS; PROTEIN INTERACTION DOMAINS AND MOTIFS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 79953284156     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.01.003     Document Type: Article

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