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Study of 3D-quantitative structure–activity relationship on a set of 1,2,4-triazole compounds

✍ Scribed by Y.D Xiao; L.H Wei; J.T Wang; J.B Zhang; S.F Lin; Z.H Zhou

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
94 KB
Volume
45
Category
Article
ISSN
0169-7439

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✦ Synopsis

In this article, 3D-quantitative structure-activity relationship on a set of 1,2,4-triazole compounds is studied. A set of 16 derivatives of triazole that have different biological activities to wheat black rust as inhibitors are characterized by molecular mechanics. The analysis result by PLS agrees with the study of 2D-QSAR, and it offers useful 3-dimensional information for designing high activity compounds.

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