Turner, David B., Tyrrell, Simon M. and Willett, Peter (1997) Rapid Quantification of Molecular Diversity for Selective Database Acquisition. Journal of Chemical Information and Computer Sciences.
Full text not available from this repository.Abstract
There is an increasing need to expand the structural diversity of the molecules investigated in lead-discovery programs. One way in which this can be achieved is by acquiring external datasets that will enhance an existing database. This paper describes a rapid procedure for the selection of external datasets using a measure of structural diversity that is calculated from sums of pairwise intermolecular structural similarities.
Item Type: | Article |
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Faculty \ School: | Faculty of Science > School of Chemistry |
Depositing User: | Simon Tyrrell |
Date Deposited: | 20 Oct 2011 12:34 |
Last Modified: | 24 Oct 2022 04:06 |
URI: | https://ueaeprints.uea.ac.uk/id/eprint/21320 |
DOI: | 10.1021/ci960463h |
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