Large-scale QSAR study of aromatase inhibitors using SMILES-based descriptors

Chemometrics and Intelligent Laboratory Systems

Volumn 138, Issue , 2014, Pages 120-126

  Worachartcheewan, Apilak ^a   Mandi, Prasit ^a   Prachayasittikul, Virapong ^a   Toropova, Alla P ^b   Toropov, Andrey A ^b   Nantasenamat, Chanin ^a  

^a MAHIDOL UNIVERSITY   (Thailand)

^b MARIO NEGRI INSTITUTE FOR PHARMACOLOGICAL RESEARCH   (Italy)

Author keywords

Aromatase inhibitors; Breast cancer; CORAL software; Data mining; QSAR; SMILES

Indexed keywords

AROMATASE INHIBITOR; ANTINEOPLASTIC AGENT;

ARTICLE; BIOINFORMATICS; CHEMICAL STRUCTURE; COMPUTER ANALYSIS; COMPUTER MODEL; COMPUTER PREDICTION; COMPUTER SYSTEM; CONTROLLED STUDY; CORRELATION COEFFICIENT; DATA ANALYSIS SOFTWARE; DRUG STRUCTURE; DRUG TARGETING; ENZYME INHIBITION; MONTE CARLO METHOD; PRIORITY JOURNAL; PROCESS DESIGN; PROCESS DEVELOPMENT; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMPLIFIED MOLECULAR INPUT-LINE ENTRY SYSTEM; SYSTEM ANALYSIS; BIOLOGICAL ACTIVITY; CHEMICAL PHENOMENA; CODING; COMPUTER PROGRAM; ESTROGEN RECEPTOR POSITIVE BREAST CANCER; IC50; MATHEMATICAL MODEL; NOMENCLATURE; PREDICTION; SIMPLIFIED MOLECULAR INPUT LINE ENTRY SYSTEM;

EID: 84906044145     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2014.07.017     Document Type: Article

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