Studies on Structure-Activity Relationship of Fentanyl Derivatives by EHMO and Pattern Recognition Method

Chem. J. Chinese Universities ›› 1993, Vol. 14 ›› Issue (9): 1305.

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Studies on Structure-Activity Relationship of Fentanyl Derivatives by EHMO and Pattern Recognition Method

LU Wen-Cong¹, YAN Li-Cheng¹, ZHU You-Cheng², CHEN Kai-Xian², CHEN Nian-Yi³

1. Department of Chemistry, Shanghai University of Science and Technology, Shanghai, 201800;
2. Shanghai Institute of Materia Medica, Academia Sinica, Shanghai;
3. Shanghai Institute of Metallurgy, Academia Sinica, Shanghai

Received:1992-12-15 Revised:1993-03-01 Online:1993-09-24 Published:1993-09-24

Abstract

Abstract: In this paper, the properties of the fentanyl derivatives were calculated by using EHMOmethod.Then, the correlation between the properties and biological activities of a series of fentanyl derivatives was calculated and analyzed by pattern recognition method.Two new compounds expected to possess higher biological activities have been designed on the basis of mathematical model.

Key words: EHMO, Pattern recognition, Fentanyl derivative, Biological activity, Characteristic parameter of stracture

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LU Wen-Cong, YAN Li-Cheng, ZHU You-Cheng, CHEN Kai-Xian, CHEN Nian-Yi. Studies on Structure-Activity Relationship of Fentanyl Derivatives by EHMO and Pattern Recognition Method[J]. Chem. J. Chinese Universities, 1993, 14(9): 1305.

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Studies on Structure-Activity Relationship of Fentanyl Derivatives by EHMO and Pattern Recognition Method

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