QSAR model based on SMILES of inhibitory rate of 2, 3-diarylpropenoic acids on AKR1C3

Chemometrics and Intelligent Laboratory Systems

Volumn 139, Issue , 2014, Pages 132-138

  Li, Qian ^a   Ding, Xiao ^a   Si, Hongzong ^a   Gao, Hua ^a  

^a QINGDAO UNIVERSITY   (China)

Author keywords

2, 3 diarylpropenoic acids; AKR1C3 inhibitor; CORAL; QSAR; SMILES

Indexed keywords

2,3 DIARYLPROPENOIC ACID; ACRYLIC ACID; ALDOKETO REDUCTASE FAMILY 1 MEMBER C3; OXIDOREDUCTASE; UNCLASSIFIED DRUG;

ARTICLE; BOOTSTRAPPING; CALCULATION; CONFORMATION; CONTROLLED STUDY; INFORMATION SYSTEM; INHIBITION KINETICS; LEAVE ONE OUT CROSS VALIDATION; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MOLECULAR MODEL; MONTE CARLO METHOD; PROCESS OPTIMIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMPLIFIED MOLECULAR INPUT LINE ENTRY SYSTEM; VALIDATION PROCESS; Y SCRAMBLING;

EID: 84908574742     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2014.09.013     Document Type: Article

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