QSAR - Call for Papers for Anaheim ACS

I just realized that I had sent this to the old qsar_society addreess at
msi.com. My apologies ito those to whom it represents a repeat posting.

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GETTING IT RIGHT: VARIABLE SELECTION AND MODEL VALIDATION IN (Q)SAR

Spring National ACS Meeting in Anaheim CA (28 March - 1 April 2004)
Sponsored by the Division of Computers in Chemistry (COMP)
     and by the QSAR and Modelling Society

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Despite the ascendance of combinatorial chemistry, high throughput
screening, and various 'omics technologies in recent years, deline-
ating structure/property relationships remains key to effective drug
discovery. The models in question may be quantitative ones relating
structure to biochemical activity (QSARs) or to some physical property
(QSPRs), or they may be more qualitative, as in many in silico ADME/Tox
applications. Whether the tool used is linear regression or PLS, dis-
criminant analysis or SIMCA, a support vector machine or a neural net,
there is always an over-arching need to pick appropriate variables as
input to the model and to get some sense of how much confidence one can
have in the model(s) produced.

The general topic of variable selection and validation in (Q)SAR will
form the basis of a multi-session symposium at the Spring 2004 meeting
of the American Chemical Society in Anaheim CA. Methods development
papers are welcome, as are abstracts for any application that involves
variable selection or validation in some way. Selected papers will be
considered for inclusion in a special "Perspectives in Drug Discovery
and Design" ("PD3") issue of the Journal of Computer-Aided Molecular
Design.

If you would like to present a paper on some aspect of QSAR, QSPR,
or a related area of chemometrics, please use the OASYS system to do so:
 
  http://oasys.acs.org/acs/227nm/comp/papers/index.cgi

to submit your abstract directly. The deadline for submission is
17 November 2003.

 Bob Clark (bclark[a]tripos.com)
 Tripos, Inc.
 1699 S. Hanley Road
 St. Louis MO 63144
Received on 2003-11-05 - 13:33 GMT