Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/25649
Type: Artigo de periódico
Title: Identifying carcinogenic activity of methylated and non-methylated polycyclic aromatic hydrocarbons (PAHs) through electronic and topological indices
Author: Braga, R.S.
Barone, P.M.V.B.
Galvão, D.S.
Abstract: Polycyclic aromatic hydrocarbons (PAHs) are a class of planar molecules, abundant in urban environment, which can induce chemical carcinogenesis. Their carcinogenic power varies in a large range, from very strong carcinogens to inactive ones. In a previous study, we proposed a methodology to identify the PAHs carcinogenic activity exploring electronic and topological indices. In the present work, we show that it is possible to simplify that methodology and expand its applicability to include methylated PAHs compounds. Using very simple rules, we can predict their carcinogenic activity with high accuracy (~ 89%).
Editor: Sociedade Brasileira de Física
Rights: aberto
Identifier DOI: 10.1590/S0103-97332000000300013
Address: http://dx.doi.org/10.1590/S0103-97332000000300013
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332000000300013
Date Issue: 1-Jan-2000
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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