QSAR - QSAR: REMINDER: SAFE EXCHANGE OF CHEMICAL INFORMATION {UPDATE}

** High Priority **

If you are INTERESTED in submitting an abstract for this symposium but
cannot do so before Nov 12 please email me. If you have an abstract, GO
TO OASIS then email me :) You have until Nov 18 at 12 noon EST to send
me the abstract by email if OASIS is closed. I will review these with
Chris Lipinski that day and we will no longer accept abstracts
afterwards. Tudor PS Apologies for this sudden message.My previous
messages to this list-server did not have "QSAR" in the subject. Let's
hope this works.
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 229th National Spring ACS Meeting, San Diego, CA (March 13-17, 2005)
Safe Exchange of Chemical Information: Can Relevant Chemical
Information beExchanged Without Disclosing Chemical Structures?
Co-sponsored by Chemical Information (CINF) & Computers in Chemistry
(COMP)Divisions We invite you to submit an abstract for the symposium
titled "Safe Exchange of Chemical Information: Can Relevant Chemical
Information be Exchanged Without Disclosing Chemical Structures?" at the
upcoming Spring ACS National Meeting in San Diego. An ACS CINF / COMP
division symposium at the March 13-17, 2005 ACS San Diego meeting
addresses the question: Can we derive a general model for safe chemical
information exchange, in such a way that it does not allow for the
reverse engineering of the original chemical structures? The proprietary
value of chemical structures is a major impediment to sharing
information and testing of computational software. Safe chemical data
exchange could resolve these problems. Tudor Oprea and Chris Lipinski
are seeking oral contributions from all disciplines on this topic. Case
studies are particularly welcome. We want to bring together a diverse
group of scientists and legal people to consider the possibilities of
exchanging chemical information in a manner that is relevant to address
chemistry-oriented problems, yet safe from a legal perspective. This is
an invited/contributed symposium that will be followed by a round-panel
discussion. Please use the on-line abstract submission system (OASYS)
for submitting your abstract (<http://oasys.acs.org/oasys.htm>) as per
ACS guidelines. Submissions can be made through the CINF (for
cheminformatic applications) or COMP (for computational chemistry
applications) Divisions. The deadline for submitting abstracts for CINF
is November 23, 2004 and for COMP is November 5, 2004. The following
speakers have accepted: Ruben Abagyan ruben a molsoft.com plannedTim Clark
clark . chemie.uni-erlangen.de Anonymous sd (.asd) filesDick Cramer
cramer(~)tripos.com Are topomers a useful representation for "safe
exchange of chemical information"? Johann Gasteiger
Johann.Gasteiger^-^chemie.uni-erlangen.de plannedAlex Kyseliov
ask()chemdiv.com plannedAnthony Nicholls anthony(-)eyesopen.com Molecular
shape and electrostatics in the encoding of relevant chemical
information Robert Pearlman pearlman*o*naphthyl.phr.utexas.edu plannedIgor
Tetko i.tetko!A!gsf.de plannedStan Young genetree,,bellsouth.net planned
Additional presentations will be provided by Chris Lipinski and Tudor
Oprea. Note: Chris Lipinski and Hugo Kubinyi will participate in the
panel discussion. PS: If you intend to submit an abstract, please
follow the instructions (please note that Nov 12 has to be ENFORCED for
practical purposes). Please follow the instructions below, and consider
providing as many practical examples as possible. For those of you that
are interested, I can provide the same WOMBAT (see
www.sunsetmolecular.com) subset (in your preferred descriptor system)
for you to "reverse engineer". The WOMBAT subset would have 1000 diverse
structures and is available upon request to those submitting an
abstract. Thank you, Chris & Tudor. Symposium co-chairs: Christopher A.
Lipinski, Ph.D. Adjunct Senior Research Fellow Pfizer Global R&D, Groton
Labs Eastern Point Road, MS 8200-36 Groton, CT 06340 860 715-4656
(voice) 860 715-3149 (fax) christopher.a.lipinski_+_groton.pfizer.com
Tudor I. Oprea, M.D. Ph.D.Professor of Biochemistry and Molecular
BiologyDivision of BiocomputingUniversity of New Mexico School of
MedicineMSC08 45601 University of New MexicoAlbuquerque NM 87131-0001
USA(505) 272 3694 (Phone)toprea-x-salud.unm.edu
Received on 2004-11-11 - 13:19 GMT