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Next: Discovery of a Drug

Genetic Programming in Drug Discovery -
Predicting P450 2D6 Enzyme Inhibition

Slides presented at CEC 2003 pages 807-814 (PDF)

W. B. Langdon

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Quick introduction to drug discovery

What is P450?

How computer based (known as in silico) prediction of P450 v. chemical interaction can aid drug discovery.

GSK organised ``blind trial'' internal competition. 12 groups entered (all but one in GSK). Genetic programming (GP) winner. Evolved model now in production.

Training, test and extrapolation data sets.

GP set up.

Results and conclusions.

Bill LANGDON 2004-02-08