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2018•Journal of Molecular Graphics and ModellingRequires access

Molecular design of 1,3,5,7-TetraCN derivatives with reduced bioconcentration using 3D-QSAR modeling, full factorial design, and molecular docking

Yuanyuan Zhao, Wenwen Gu, Yu Li

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Key concepts: Quantitative structure–activity relationship, Bioconcentration, Factorial experiment, Chemistry, Computational chemistry, Fractional factorial design, Stereochemistry, Environmental chemistry

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Molecular design of 1,3,5,7-TetraCN derivatives with reduced bioconcentration using 3D-QSAR modeling, full factorial design, and molecular docking — Research Paper | ScholarLens