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ToolsTurner, 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, 37 (1). pp. 18-22.
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 |
|---|---|
| Faculty \ School: | Faculty of Science > School of Chemistry (former - to 2024) |
| Depositing User: | Simon Tyrrell |
| Date Deposited: | 20 Oct 2011 12:34 |
| Last Modified: | 25 Apr 2025 00:05 |
| URI: | https://ueaeprints.uea.ac.uk/id/eprint/21320 |
| DOI: | 10.1021/ci960463h |
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