Exploring MIA-QSPR's for the modeling of biomagnification factors of aromatic organochlorine pollutants

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Exploring MIA-QSPR's for the modeling of biomagnification factors of aromatic organochlorine pollutants

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作者：Estella G. da Mota ; Mariene H. Duarte ; Stephen J. Barigye ; Teodorico C. Ramalho ; Matheus P. Freitas ; ^{matheus@dqi.ufla.br" class="auth_mail" title="E-mail the corresponding author}
关键词：aug ; augmented ; MIA ; Multivariate image analysis ; QSPR ; Quantitative Structure-Property Relationships ; BMF ; biomagnification ; PCB ; polychlorinated biphenyls
刊名：Ecotoxicology and Environmental Safety
出版年：2017
出版时间：January 2017
年：2017
卷：135
期：Complete
页码：130-136
全文大小：871 K

文摘

•: The biomagnification factors of 40 organochlorine compounds were modeled.
•: The MIA-QSPR model based on augmented images was predictive and interpretative.
•: Number and position of chlorine atoms play specific roles on biomagnification.

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