NISS Affiliates Technology Day

Statistical Aspects of High Throughput Screening

October 25, 2002, NISS Headquarters

Jacqueline Hughes–Oliver, North Carolina State University
William J. Welch, University of Waterloo
S. Stanley Young, NISS

Presentations by Stan Young, Will Welch and Jacqueline Hughes-Oliver

    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.

   Outline.
   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.

   Date and Location. The Technology Day will be held on Friday, October 25, 2002, at NISS headquarters in Research Triangle Park, NC. All affiliates may use their Travel Reimbursement Accounts to attend.