Subject: Second Call For Papers - Combinatorial Chemistry Informatics at A CS New Orleans, August 1999

From: Bob Snyder <[email-masked]>
Date: Sun, 4 Apr 1999 14:48:09 -0700

The Chemical Information (CINF) Division is planning a series of sessions on
Combinatorial Chemistry Informatics at the fall ACS meeting in New Orleans
(August 1999).  Each session will focus on a different aspect in the
combinatorial chemistry process: from library design, virtual library
analysis, and automated synthesis, through high-throughput screening.  The
four sessions will be presented sequentially to preserve the natural
workflow.

Abstracts should be submitted electronically by April 15, 1999 by accessing
the URL http://207.244.115.201/acs/218nm/cinf/papers/index.cgi 

If you  need more information on one of the sessions contact the session
organizer at the end of each session description below.

Combinatorial Chemistry Informatics: Library Design
Library design can be the most critical aspect in determining the success or
failure of the resulting combinatorial library.  Selection of the scaffold
and R-groups (reagents) can have a profound effect on how well the library
members bind to the desired target receptor.  Information-based approaches
to the design of combinatorial libraries is resulting in smaller, more
effective libraries.  This session will present novel techniques for library
design and registration.  Please contact Bob Snyder ([email-masked]) for
further information and submission of abstracts.

Combinatorial Chemistry Informatics: Virtual Library Analysis/Diversity
Assessment
This session will focus on the creation and analysis of virtual
combinatorial libraries as a means for pre-screening libraries prior to
their synthesis.  Various diversity measurements will be presented and their
effectiveness measured.  Please contact Bob Snyder ([email-masked]) for
further information and submission of abstracts.

Combinatorial Chemistry Informatics: Automated Synthesis and Validation
This session will cover information management and tracking methods for all
steps of medium or high throughput synthesis.  This includes experimental
set-up, synthesis techniques, purification methods for synthesized
compounds, analytical methods for compound verification, and registration of
validated compounds. Speakers from industry, academia, or government who can
describe approaches to information management for these issues as applied to
their own research programs are preferred.  Please contact Terry Wright
([email-masked]) for further information and submission of abstracts.

Combinatorial Chemistry Informatics: High-Throughput Screening
Combinatorial libraries pose unique challenges to software programmers and
developers who provide informatics programs for the drug discovery industry.
These challenges include controlling robotic workstations used to create the
libraries as well are register and validate the libraries before they are
run in  High-Throughput Screening (HTS) programs.  This sessions will focus
on how the presenters companies are dealing with this issue.  Please contact
Ron Delmendo ([email-masked]) for further information and submission of
abstracts.

Please submit your talks as soon as possible since each session will be
limited to one half day.

-------------------------------------
Robert W. Snyder, Ph.D.
Director, Chemistry Marketing
MDL Information Systems
email:   [email-masked]
telephone:   510-895-1313

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