Biological enrichment prediction of polychlorinated biphenyls and novel molecular design based on 3D-QSAR/HQSAR associated with molecule docking

Based on the experimental data of octanol-water partition coefficients (K(ow), represents bioaccumulation) for 13 polychlorinated biphenyl (PCB) congeners, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were used to establish 3D-QSAR model...

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Detalles Bibliográficos
Autores principales: Yang, Jiawen, Gu, Wenwen, Li, Yu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Portland Press Ltd. 2019
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6522710/
https://www.ncbi.nlm.nih.gov/pubmed/31101726
http://dx.doi.org/10.1042/BSR20180409

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6522710/
https://www.ncbi.nlm.nih.gov/pubmed/31101726
http://dx.doi.org/10.1042/BSR20180409

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