Subject: Fall 2002 ACS Meeting: QSAR FROM CRADLE TO GRAVE

From: David Larson <[email-masked]>
Date: Tue, 23 Oct 2001 09:50:56 -0500

QSAR FROM CRADLE TO GRAVE

Fall ACS meeting in Boston (August 18-22, 2002)
Sponsored by the Division of Computers in Chemistry (COMP)

The scope of QSAR includes analysis of all aspects of quantitative molecular
design.  At the "front end" of drug or pesticide design, for example,
structure/property relationships (SPRs) are being elucidated for pharmaco-
kinetic properties, and predictions that a compound will have ADME or
toxicological problems will stop some compounds from being made at all.  At
the other extreme is the growing use of combinatorial approaches and
experimental design to optimize process chemistry.  In between lie analysis
of high-throughput screening (HTS) data and "classical" lead optimization.
In other areas of inquiry - e.g., odorant or taste characterization or pest
deterrence - QSARs may serve to either generate hypotheses or to test
existing hypotheses generated from earlier analyses.

We are organizing a multi-session symposium for the 18-22 August 2002
American Cheimcal Society meeting in Boston.  If you would like to present
a paper on any aspect of QSARs, QSPRs or a related area of chemometrics,
please contact one of us with a brief description of your topic by
April 15, 2002.

Abstracts will need to be submitted via OASys shortly thereafter.

 Bob Clark ([email-masked])
 Tripos, Inc.
 1699 S. Hanley Road
 St. Louis MO 63144

 Yvonne Martin ([email-masked])
 D-47E AP10/2
 Abbott Laboratories
 100 Abbott Park Road
 Abbott Park IL  60064-6100