Fuzzy clustering in drug design: Application to cocaine abuse

Amit Banerjee, Carol A. Venanzi, Milind Misra, Rajesh N. Davé

Research output: Contribution to conferencePaper

2 Scopus citations

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.

Original languageEnglish (US)
Pages308-313
Number of pages6
Publication statusPublished - Sep 29 2004
EventNAFIPS 2004 - Annual Meeting of the North American Fuzzy Information Processing Society: Fuzzy Sets in the Heart of the Canadian Rockies - Banff, Alta, Canada
Duration: Jun 27 2004Jun 30 2004

Other

OtherNAFIPS 2004 - Annual Meeting of the North American Fuzzy Information Processing Society: Fuzzy Sets in the Heart of the Canadian Rockies
CountryCanada
CityBanff, Alta
Period6/27/046/30/04

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All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Mathematics(all)

Cite this

Banerjee, A., Venanzi, C. A., Misra, M., & Davé, R. N. (2004). Fuzzy clustering in drug design: Application to cocaine abuse. 308-313. Paper presented at NAFIPS 2004 - Annual Meeting of the North American Fuzzy Information Processing Society: Fuzzy Sets in the Heart of the Canadian Rockies, Banff, Alta, Canada.