Drug Design: Examining Large Experimental Designs
Abstract
In the course of designing a new drug, thousands of candidate structures could be made and examined by empirical testing. Medicinal chemists would prefer some way of selecting a diverse subset from a list of candidates. Our statistical approach is to use experimental design technology for the selection process and to use computer visualization techniques for examination of the resulting design. A small peptide case is used as an example. The emphasis of this paper is on the value of visualization techniques in understanding the design and in explicating the design to Medicinal Chemists.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 1992
- Accession Number
- ADP007150
Entities
People
- S. S. Young