CoMSIA Study of a Series of N-Dichloroacetyl Oxazolidine Derivatives-Reference-Cited by-同舟云学术

CoMSIA Study of a Series of N-Dichloroacetyl Oxazolidine Derivatives

Published:2012-08 Issue: Volume:195-196 Page:380-384
ISSN:1662-7482
Container-title:Applied Mechanics and Materials
language:
Short-container-title:AMM

Author:

Fu Ying¹,Li Hai Tao¹,Zhao Qing Shan¹,Ye Fei¹

Affiliation:

1. Northeast Agricultural University

Abstract

Comparative molecular similarity indices analysis (CoMSIA) were performed on N-dichloroacetyl oxazolidine derivatives as herbicide safeners. The best CoMSIA models that were generated using atom based alignmen, Rcv2=0.632, n=4, R2=0.927, F=31.796 and s=0.097. The contributions of steric field, electrostatics field, hydrophobicities field and hydrogenbond acceptor were 0.127, 0.260, 0.285 and 0.328, respectively. The CoMSIA model was satisfactory and would be useful for the future design of new N-dichloroacetyl oxazolidine herbicide safener.

Publisher

Trans Tech Publications, Ltd.

Link

https://www.scientific.net/AMM.195-196.380.pdf

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