CARCINOGENICIDADE DE HIDROCARBONETOS POLICÍCLICOS AROMÁTICOS

CARCINOGENICIDADE DE HIDROCARBONETOS POLICÍCLICOS AROMÁTICOS

The assessment of the carcinogenic potential of polycyclic aromatic hydrocarbons (PAH) is obtained by a principal component analysis (PCA) and quantitative structure-activity relationship (QSAR) using hydrophobic (LogP), stereo and electronic parameters (electron affinity, dipole moment and HOMO-LUM...

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Bibliographic Details
Main Authors: Douglas L. Bernardo, Karina A. Barros, Renato C. Silva, Antonio C. Pavão
Format: Article
Language:English
Published: Sociedade Brasileira de Química
Series:Química Nova
Subjects:
polycyclic aromatic hydrocarbon (PAH)
quantitative structure-activity relationship (QSAR)
LD50
principal component analysis (PCA)
AM1 calculations
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422016000700789&lng=en&tlng=en

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