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Inductive logic programming for 3-dimensional structure based drug design
Reference
B11471
Principal Investigator / Supervisor
Professor Ross King
Co-Investigators /
Co-Supervisors
Dr Bjorn Alsberg
,
Dr Richard Gilbert
,
Professor Kimberly Watson
Institution
Aberystwyth University
Department
Computer Science
Funding type
Research
Value (£)
146,664
Status
Completed
Type
Research Grant
Start date
01/12/1999
End date
03/05/2003
Duration
41 months
Abstract
This project seeks to develop and test the use of Inductive Logic Programming (ILP) in structure based drug design (SBDD). ILP is a form of Machine Learning which constructs logical theories from objective experimental data and human-supplied background knowledge. ILP is better suited to drug design than conventional data analysis as it employs a more powerful way of representing molecular structure. This makes the data analysis simpler, and allows solutions to be found where conventional methods fail. ILP has previously been successfully used to learn quantitative structure activity relationships, toxicology models, and pharmacophores. We will use ILP to analyse the empirical data from X-ray crystallography structure of series of protein-ligand complexes and then specifically tailor the SBDD process for each series.
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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