Artificial neural network prediction of quantitative structure - retention relationships of polycyclic aromatic hydocarbons in gas chromatography

Artificial neural network prediction of quantitative structure - retention relationships of polycyclic aromatic hydocarbons in gas chromatography

A feed-forward artificial neural network (ANN) model was used to link molecular structures (boiling points, connectivity indices and molecular weights) and retention indices of polycyclic aromatic hydrocarbons (PAHs) in linear temperature-programmed gas chromatography. A randomly taken subset of PAH...

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Bibliographic Details
Main Authors: SNEZANA SREMAC, BILJANA SKRBIC, ANTONIJE ONJIA
Format: Article
Language:English
Published: Serbian Chemical Society 2005-11-01
Series:Journal of the Serbian Chemical Society
Subjects:
retention index
GC
ANN
PAHs
QSRR
molecular descriptors.
Online Access:http://www.shd.org.yu/HtDocs/SHD/vol70/No11/JSCS_V70_No11-07.pdf

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