Fuzzy clustering in drug design: Application to cocaine abuse

Document Type

Conference Proceeding

Publication Date

1-1-2004

Abstract

This paper describes a fuzzy clustering methodology for selecting representative clusters for conformational analysis. A novel feature extraction procedure based on the structural properties of the molecule is presented. A composite feature vector is developed and the practical applicability of two fuzzy relational clustering techniques, NERF c-means and FRC, is demonstrated. Several cluster validity measures are applied and are shown to provide reliable information about the validity of the partitions produced by the clustering techniques.

Identifier

4544252685 (Scopus)

Publication Title

Annual Conference of the North American Fuzzy Information Processing Society NAFIPS

External Full Text Location

https://doi.org/10.1109/nafips.2004.1336297

First Page

308

Last Page

313

Volume

1

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