Extending K-Means clustering for analysis of quantitative structure activity relationships (QSAR)

A Quantitative Structure-Activity Relationship (QSAR) study is an attempt to model some biological activity over a collection of chemical compounds in terms of their structural properties A QSAR model may be constructed through (typically linear) multivariate regression analysis of the biological ac...

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Bibliographic Details
Main Author: Stanforth, Robert William
Published: Birkbeck (University of London) 2008
Subjects:
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.500005