Simulation of infrared spectra using artificial neural networks based on semiempirical and empirical data

Analytica Chimica Acta

Volumn 331, Issue 1-2, 1996, Pages 63-74

  Weigel, U M ^a   Herges, R ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

AM1; artificial neural nets; backpropagation; infrared spectrum; MOPAC; semiempirical; simulation; substructure

Indexed keywords

ORGANIC COMPOUND;

ARTICLE; ARTIFICIAL NEURAL NETWORK; COMPUTER SIMULATION; INFRARED SPECTROPHOTOMETRY; PRIORITY JOURNAL; THEORY;

EID: 0030595390     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/0003-2670(96)00203-6     Document Type: Article

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