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

Published 2020 View Full Article

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Title
Environment-friendly PCN derivatives design and environmental behavior simulation based on a multi-activity 3D-QSAR model and molecular dynamics
Authors
Keywords
Polychlorinated naphthalenes, Multi-activity 3D-QSAR model, Comprehensive evaluation index, Molecular dynamics simulation, Taguchi experimental design
Journal
JOURNAL OF HAZARDOUS MATERIALS
Volume 393, Issue -, Pages 122339
Publisher
Elsevier BV
Online
2020-02-19
DOI
10.1016/j.jhazmat.2020.122339

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