Rapid access to infrared reference spectra of arbitrary organic compounds: Scope and limitations of an approach to the simulation of infrared spectra by neural networks

Chemistry - A European Journal

Volumn 6, Issue 5, 2000, Pages 920-927

  Selzer, Paul ^a   Gasteiger, Johann ^a   Thomas, Henrik ^b   Salzer, Reiner ^b  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Analytical chemistry; Infrared spectroscopy; Neural networks; Spectrum simulation

Indexed keywords

ORGANIC COMPOUND;

ANALYTIC METHOD; ARTICLE; DRUG SYNTHESIS; INFRARED SPECTROSCOPY; NERVE CELL NETWORK; PREDICTION; QUANTUM MECHANICS; SIMULATION; THREE DIMENSIONAL IMAGING;

EID: 0034599145     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1521-3765(20000303)6:5<920::AID-CHEM920>3.0.CO;2-W     Document Type: Article

References (20)

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