Combinatorial Chemistry and Molecular Diversity

Tuesday, April 8, 1997 - 10:45am - 11:45am
Keller 3-180
Jeff Blaney (Chiron Corporation)
We will present recent improvements to our approach for diversity-based combinatorial library design (J. Med. Chem. 1995, 38, 1431). These include new templates and whole molecule descriptors, binned designs which sample groups from different predefined structural or property classes, and a faster (~ 2 orders of magnitude) multidimensional scaling algorithm. We will also present an approach for structure-based combinatorial library design and compare its practical use in lead discovery vs. lead optimization problems.

Joint work with Eric Martin, David Spellmeyer and Roger Critchlow.