Prediction of1H NMR coupling constants with associative neural networks trained for chemical shifts

Journal of Chemical Information and Modeling

Volumn 47, Issue 6, 2007, Pages 2089-2097

  Binev, Yuri ^a   Marques, Maria M B ^a   Aires de Sousa, João ^a  

^a UNIVERSIDADE NOVA DE LISBOA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; FEEDFORWARD NEURAL NETWORKS; MOLECULAR STRUCTURE; PROTONS;

AUTOMATIC STRUCTURE ELUCIDATION; CHEMOMETRIC METHODS; MEAN ABSOLUTE ERRORS;

ORGANIC COMPOUNDS;

EID: 37249061128     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci700172n     Document Type: Article

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