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Award details
Computational support for partition-based compound selection
Reference
B07391
Principal Investigator / Supervisor
Professor Peter Willett
Co-Investigators /
Co-Supervisors
Institution
University of Sheffield
Department
Information Studies
Funding type
Research
Value (£)
113,377
Status
Completed
Type
Research Grant
Start date
01/02/1997
End date
31/01/2000
Duration
36 months
Abstract
Combinatorial approaches to the design of novel bioactive compounds require sets of structurally disparate reagents. This project will develop effective and efficient computer techniques for the selection of such sets from available chemical databases, using a technique known as partition-based compound selection. Areas to be investigated include the specification of the bins comprising a partition, the calculation of the physical properties defining the partition, and the choice of compound from the resulting bins.
Summary
unavailable
Committee
Closed Committee - Biomolecular Sciences (BMS)
Research Topics
X – not assigned to a current Research Topic
Research Priority
X – Research Priority information not available
Research Initiative
X - not in an Initiative
Funding Scheme
X – not Funded via a specific Funding Scheme
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