Call for Papers

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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,
 delineating
 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, discriminant
 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{at}tripos.com)
  Tripos, Inc.
  1699 S. Hanley Road
  St. Louis MO 63144
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