Original scientific paper

Classification of Steroid Partition Coefficients by a Pattern Recognition Technique

A. J. Harget ; Dept. of Computer Science and Applied Mathematics, Aston University, Aston Triangle, Birmingham B4 7ET, UK
D. S. Ellis ; Dept. of Computer Science and Applied Mathematics, Aston University, Aston Triangle, Birmingham B4 7ET, UK

Abstract

A pattern recognition technique, the linear learning machine
method, has been used to determine structure-activity relationships
for certain steroids. The steroids used in this study were classified into two categories according to their observed partition coefficient and a correlation made with certain substructural descriptors. The linear learning machine method was employed to calculate a suitable decision surface that would classify each steroid into its correct category. The resulting structure-activity relationship and the relative contributions of the various structural variables are discussed, and a comparison made with resultsobtained from a study using a different approach.

Keywords

Hrčak ID:

175803

URI

https://hrcak.srce.hr/175803

Publication date:

10.10.1989.

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