Abstract
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.
Current Organic Chemistry
Title:QSAR Applications on Polycyclic Aromatic Hydrocarbons and Some Derivatives
Volume: 17 Issue: 23
Author(s): Matías F. Andrada, Pablo R. Duchowicz and Eduardo A. Castro
Affiliation:
Keywords: QSAR theory, Polycyclic aromatic hydrocarbons, Molecular descriptors, Multivariable linear regression, Cross validation.
Abstract: 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.
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Cite this article as:
Andrada Matías F., Duchowicz R. Pablo and Castro A. Eduardo, QSAR Applications on Polycyclic Aromatic Hydrocarbons and Some Derivatives, Current Organic Chemistry 2013; 17 (23) . https://dx.doi.org/10.2174/13852728113179990131
DOI https://dx.doi.org/10.2174/13852728113179990131 |
Print ISSN 1385-2728 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5348 |
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