Molecular diversity techniques for chemical databases

Molecular diversity techniques for chemical databases

There is much current interest in computer-based methods for selecting structurally diverse subsets of chemical databases, <I>e.g.</i>, for inclusion in biological screening programme or for the construction of combinatorial libraries. This paper summarises recent work in Sheffield on &l...

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Bibliographic Details
Main Author: Peter Willett
Format: Article
Language:English
Published: University of Borås 1996-01-01
Series:Information Research: An International Electronic Journal
Subjects:
computer-based methods
chemical databases
biological screening
combinatorial libraries
dissimilarity-based compound selection
molecules
near-maximally dissimilar
combinatorial algorithm
dataset.
Online Access:http://informationr.net/ir/2-3/paper19.html

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http://informationr.net/ir/2-3/paper19.html

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