QSAR study of the enantiomeric excess in asymmetric catalytic reactions with topological indices and an artificial neural network

Journal of Molecular Modeling

Volumn 13, Issue 1, 2007, Pages 91-97

  Jiang, Chen ^a   Li, Daliang ^a   Wen, Jiwu ^a   You, Tianpa ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Artificial neural network; Asymmetric catalytic reaction; Enantiomeric excess; Multiple regression; Topological indices

Indexed keywords

LIGAND; REAGENT;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CATALYSIS; CATALYST; CHEMICAL REACTION; CHEMICAL STRUCTURE; CHIRALITY; CYCLOPROPANATION; ENANTIOMER; MULTIPLE REGRESSION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

CATALYSIS; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR STRUCTURE; NEURAL NETWORKS (COMPUTER); ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; STEREOISOMERISM;

EID: 37849186967     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-006-0126-y     Document Type: Article

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