Environment-friendly PCN derivatives design and environmental behavior simulation based on a multi-activity 3D-QSAR model and molecular dynamics

出版年份 2020 全文链接

标题

作者

关键词

Polychlorinated naphthalenes, Multi-activity 3D-QSAR model, Comprehensive evaluation index, Molecular dynamics simulation, Taguchi experimental design

出版物

JOURNAL OF HAZARDOUS MATERIALS

Volume 393, Issue -, Pages 122339

出版商

Elsevier BV

发表日期

2020-02-19

DOI

10.1016/j.jhazmat.2020.122339

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