LCOLI: Efficient generation of diverse combinatorial libraries

CINF 47

Rong Chen and Alan Long. Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford St., Cambridge, MA 02138
The program LCOLI (an acronym for LHASA for Compound Libraries) is a new module for the LHASA (Logic and Heuristics Applied to Synthetic Analysis) suite that predicts possible reactions between input starting materials and generates virtual combinatorial libraries. The libraries created using this knowledge based diversity-oriented synthesis (DOS) approach achieve a high degree of chemical diversity and complexity, rich information on synthetic accessibility, and predictions of potential toxicity. Library generation is highly efficient and holds great promise for new drug discovery. Samples of analyses will be presented.
 

Sci-Mix
8:00 PM-10:00 PM, Monday, August 23, 2004 Pennsylvania Convention Center -- Hall D, Sci-Mix

Division of Chemical Information

The 228th ACS National Meeting, in Philadelphia, PA, August 22-26, 2004