Computational Methods in Combinatorial Chemistry

UCSF Laurel Heights Conference Center
San Francisco, California
October 9, 1997

On October 9, 1997, one hundred distinguished scientists from industry and academia met in San Francisco to present and discuss their recent research on diversity and structure based computational methods applied to the design and analysis of chemical libraries. The UCSF MDI meeting on Computational Methods in Combinatorial Chemistry was chaired by Professor I.D. Kuntz , who moderated discussion and led the evening panel session. Dr. David Floyd, vice president of Discovery Research at Bristol-Myers Squibb presented the keynote address and participated in the panel. 

Keynote Speaker

David Floyd
VP  Discovery Chemistry, Bristol Myers Squibb

"Automated Synthesis in Drug Discovery"

Speakers and Panelists

David Floyd, Bristol-Myers Squibb
Jon Ellman, University of California Berkeley
Simon Kearsley, Merck Research Laboratories
Atsuo Kuki, Alanex Corporation
I.D. Kuntz, University of California San Francisco
Eric Martin, Chiron Corporation
Mark Murcko, Vertex Pharmaceuticals
Diana Roe, Sandia National Laboratories
Ray Salemme, 3D Pharmaceuticals
Yax Sun, Bristol-Myers Squibb
Will Welch, Arris Pharmaceuticals
Peter Willett, University of Sheffield

The Program

8:30-900 Welcome: J.C. Hempel and I.D. Kuntz

9:00-10:00 Keynote Address: David Floyd, "Automated Synthesis in Drug Discovery"

10:00 -10:30 Break

10:30-11:15 Atsuo Kuki "Reactivity and Affinity in Library Design: Expanding the Art of the Possible"

11:15-12:00 Simon Kearsley: "Library Design by Scanning Virtual Flexibases"

12:00-1:00 Lunch

1:00-2:00 Peter Willett: "Computer Analysis of Molecular Diversity"

2:00-2:40 Will Welch: "Computational Tools for Combinatorial Library Design"

2:40-3:10 Ray Salemme: "Computational Tools for the Efficient Directed Search of Large Compound Libraries Accessible Through Automated Synthesis"

3:10-3:40 Break

3:40-4:20 Yax Sun: "The Docking, Design, and Analysis of Combinatorial Libraries"

4:20-5:00 Eric Martin: "Computational Approaches to Combinatorial Library Designand Analysis"

5:00-5:40 Mark Murcko: "Using Structural Information in the Design of Combinatorial Libraries"

6:00-7:30 Dinner

8:00-9:00 Panel: Kuntz, Martin, Ellman, Murcko, Roe, Floyd, Willett

9:00-9:30 Summary: I.D. Kuntz

Sponsors

The meeting gratefully acknowledge the financial support of Bristol-Myers Squibb, Inc., MDL Information Systems, Inc., Molecular Simulations Inc., Pfizer, Inc., and Tripos, Inc.

UCSF MDI Scientific Meetings Series