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- Chen, Ying, et al. Show all 3 Authors
- Bulletin of environmental contamination and toxicology 2017 v.99 no.2 pp. 276-280
- chemical elements; chlorinated naphthalenes; computer software; energy; experimental design; models; quantitative structure-activity relationships
- ... Based on the experimental subcooled liquid vapor pressures (P L) of 17 polychlorinated naphthalene (PCN) congeners, one type of three-dimensional quantitative structure–activity relationship (3D-QSAR) models, comparative molecular similarity indices analysis (CoMSIA), was constructed with Sybyl software. Full factor experimental design was used to obtain the final regulation scheme for PCN, and th ...