Summary. Discovery of a new drug involves identification of compounds that are potent with respect to a given biological assay. Chemical collections are very large, but only a small number of compounds available for screening are likely to be potent. The screening process can be made much more efficient than current practices. We will cover a number of topics: chemical descriptors, statistical analysis methods suitable for large, complex data sets, sequential screening, and the testing of compounds in pools.
The Technology Day will consist of lectures, hands-on problem solving and discussion. Participants will be given a short reading list and limited license software that will be the basis of the course.
1. Introduction to the screening process
2. Chemical descriptors
3. Statistical analysis methods
4. Sequential screening
5. Testing compounds in pools
Anticipated Outcomes. The Technology Day is intended to describe an exciting set of tech-nologies using real data and software tools. A secondary objective is to identify research issues whose resolution would have high impact on Affiliates, as well as form (at least preliminarily) teams of NISS and affiliates researchers to pursue the issues.