The Role of Computational Chemistry in Translating Genomic
Information into Bioactive Small Molecules
Although genomic information provides many potential targets for drug
discovery, the challenge is to convert this information into drugs that cure
human disease. Workers in computer assisted molecular design and chemometrics
have developed a number of techniques to aid this process. Examples include
selecting diverse compounds for high throughput screening, designing universal
or targeted combinatorial libraries, and using a variety of computational
techniques to forecast binding affinitiy and bioavailability of compounds.
This lecture will summarize recent advances in these areas.