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

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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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