Identifying carcinogenic activity of methylated and non-methylated polycyclic aromatic hydrocarbons (PAHs) through electronic and topological indices

dc.creator	Braga R.S.
dc.creator	Barone P.M.V.B.
dc.creator	Galvão D.S.
dc.date	2000
dc.date.accessioned	2013-05-30T00:14:54Z
dc.date.available	2013-05-30T00:14:54Z
dc.date.issued	2013-05-30
dc.identifier	http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332000000300013
dc.identifier	http://www.doaj.org/doaj?func=openurl&genre=article&issn=01039733&date=2000&volume=30&issue=3&spage=560
dc.identifier.uri	http://koha.mediu.edu.my:8181/jspui/handle/123456789/3033
dc.description	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%).
dc.publisher	Sociedade Brasileira de Física
dc.source	Brazilian Journal of Physics
dc.title	Identifying carcinogenic activity of methylated and non-methylated polycyclic aromatic hydrocarbons (PAHs) through electronic and topological indices

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