Drug Discovery Today

Presented at the October 7th, 1999 meeting of the LRIG Mid

With high-throughput screening systems in place and beginning to produce
data reliably, the data analysis and interpretation becomes a bottleneck in the process of
moving more high-quality leads to the clinic. The decision-making processes that go into
lead discovery, evaluation, and development are quite complex, and can benefit from
judicious use of appropriate computational intelligence techniques. Knowledge-based
reasoning systems that capture the decision process of a pharmaceutical chemist during
lead identification and development and aid in decision support will be presented in this
talk. Bioreason’s HTS data interpretation systems are an example of an automated solution
aimed at helping identify top quality lead candidates while minimizing costly mistakes.
The fundamental aspects of technology for combining computational intelligence techniques
with knowledge discovery from data mining to this end will be presented.

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