Structure-based predictions of1H NMR chemical shifts using feed-forward neural networks

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 3, 2004, Pages 940-945

  Binev, Yuri ^a,b   Aires de Sousa, João ^a  

^a DEPARTAMENTO DE QUÍMICA   (Portugal)

^b INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

DATA REDUCTION; DATABASE SYSTEMS; ERROR ANALYSIS; NEURAL NETWORKS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; TOPOLOGY;

AUTOMATIC STRUCTURE; CHEMICAL SHIFTS; COUNTERPROPAGATION; HIDDEN NEURONS;

MOLECULAR STRUCTURE;

HYDROGEN;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL STRUCTURE; CHEMISTRY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

HYDROGEN; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR STRUCTURE; NEURAL NETWORKS (COMPUTER);

EID: 2942754293     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci034228s     Document Type: Article

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