3D-QSAR study on imidazolinone herbicides

Acta Chimica Sinica ›› 1999, Vol. 57 ›› Issue (12): 1291-1297. Previous Articles Next Articles

Original Articles

咪唑啉酮类除草剂的三维构效关系研究

王瑾玲;李爱秀;苏华庆;孙命;缪方明

天津师范大学晶体化学研究所

发布日期:1999-12-15

3D-QSAR study on imidazolinone herbicides

Wang Jinling;Li Aixiu;Su Huaqing;Sun Ming;Miao Fangming

Published:1999-12-15

Abstract

An active conformer of the imidazolinone compounds has been obtained by adopting different conformational search methods. The model molecule has been confirmed using the Comparative Molecular Field Analysis (CoMFA). A 3D-QSAR study on a series of 5-substituted imidazolinone compounds exploring the relationship between the electrostatic, stereo interaction with ALS inhibitory activity has been finished. A QSAR model of high predicting ability has been obtained.

Key words: IMIDAZOLONE P, HERBICIDES, STRUCTURE ACTIVITY RELATIONSHIP

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Cite this article

Wang Jinling;Li Aixiu;Su Huaqing;Sun Ming;Miao Fangming. 3D-QSAR study on imidazolinone herbicides[J]. Acta Chimica Sinica, 1999, 57(12): 1291-1297.

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咪唑啉酮类除草剂的三维构效关系研究

3D-QSAR study on imidazolinone herbicides

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