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