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

** High Priority **

If you are INTERESTED in submitting an abstract for the symposium please
email mebefore Nov 29. If you have an abstract, GO TO OASIS and register
it, then email me :) You have until Nov 29 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
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 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,,molsoft.com How to reveal
without revealing
Alexandru T. Balaban balabana~!~tamug.edu Can topological indices
transmit information on properties but not on structures?
Tim Clark clark(-)chemie.uni-erlangen.de Anonymous sd (.asd) files
Omoshile Clement omoshile^accelrys.com Possibilities for transfer of
relevant data without revealing structural information
Dick Cramer cramer++tripos.com Are topomers a useful representation for
"safe exchange of chemical information"?
Jean-Loup Faulon jfaulon*o*sandia.gov Reverse engineering chemical
structures from molecular descriptors: How many solutions?
Johann Gasteiger Johann.Gasteiger^^^chemie.uni-erlangen.de TBA
Anthony Nicholls anthony^_^eyesopen.com Molecular shape and
electrostatics in the encoding of relevant chemical information
Tudor Oprea toprea:salud.unm.edu TBA

Nikolay Osadchiy no*_*chemdiv.com Screens as a secure descriptor of
chemistry space

Robert Pearlman pearlman===naphthyl.phr.utexas.edu Sharing chemical
information without sharing chemical structure
Vladimir Poroikov vladimir.poroikov[A]ibmc.msk.ru Why relevant chemical
information cannot be exchanged without disclosing structures?
Igor Tetko i.tetko!A!vcclab.org Encoding molecular structures as ranks of
models: a new secure way for sharing chemical data and development of
ADME/T models
Stan Young genetree^bellsouth.net Secure statistical analyses on
distributed databases
 An introduction to the session will be provided by Chris Lipinski;
*POSSIBLY*, additional presentations by Terry Stouch (Lexicon
Pharmaceuticals) and Gabriele Cruciani (University of Perugia). 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 29 is the DEADLINE). 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]=[salud.unm.edu
Received on 2001-08-28 - 11:41 GMT