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Current Organic Chemistry


ISSN (Print): 1385-2728
ISSN (Online): 1875-5348

QSAR Applications on Polycyclic Aromatic Hydrocarbons and Some Derivatives

Author(s): Matías F. Andrada, Pablo R. Duchowicz and Eduardo A. Castro

Volume 17, Issue 23, 2013

Page: [2872 - 2879] Pages: 8

DOI: 10.2174/13852728113179990131

Price: $65


Polycyclic Aromatic Hydrocarbons (PAHs) have been the focus of great attention for a long time owing to their impact on public health and the environment. In this article we overview various QSAR studies on PAHs and some derivatives, that have been developed during the last decade by different authors. Several properties of broad interest are analyzed, such as carcinogenesis, mutagenicity, biocatalytic oxidation, phototoxicity, dermal penetration, biodegradation, and others. The molecular descriptors types and modeling techniques used are briefly commented.

Keywords: QSAR theory, Polycyclic aromatic hydrocarbons, Molecular descriptors, Multivariable linear regression, Cross validation.

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