Pentachlorophenol molecule design with lower bioconcentration through 3D-QSAR associated with molecule docking
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DOI: 10.1007/s11356-017-0129-5
Abstract: A three-dimensional quantitative structure activity relationship (3D-QSAR) model is built by using a comparative molecular similarity indices analysis (CoMSIA) technique with an experimentally determined logarithm of bioconcentration factors (logBCFs) for 36 phenols in fish. Meanwhile,… read more here.
Keywords: modified pcp; molecule; bioconcentration; new modified ... See more keywords