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Chemistry for Sustainable Development

2009 year, number 2

QSAR Modelling of Maximum Permissible Concentrations of Organic Substances in the Air of Working Areas

a:2:{s:4:"TYPE";s:4:"TEXT";s:4:"TEXT";s:80:"А. А. Toropov, V. O. Kudyshkin, I. N. Nurgaliev, R. Z. Akhmerov, S. S. Rashidova";}
Keywords: QSAR, SMILES, descriptor, maximum permissible concentrations, processing of plastics
Pages: 199-202

Abstract

Optimal descriptors were determined on the basis of the data obtained by means of SMILES (simplified molecular input line entry system). It was established that they give a satisfactory prediction of the logarithms of maximum permissible concentrations of the substances that may be present in the air of the working area during the production and processing of plastics.