IMPORTANT "Safe exchange of chemical information" / ACS Spring 2005 Symposium


My apologies to everyone for a very late announcement, but it promises to be an interesting topic :)

It is a really short deadline, and my excuse for not sending this earlier is too many conflicting deadlines.

If you are INTERESTED in submitting an abstract but cannot do so before Nov 12 please email me.

If you have an abstract, GO TO OASIS and email me :) 






229th National Spring ACS Meeting, San Diego, CA (March 13-17, 2005)


Safe Exchange of Chemical Information: Can Relevant Chemical Information be

Exchanged Without Disclosing Chemical Structures?


Co-sponsored by Chemical Information (CINF) & Computers in Chemistry (COMP)



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 (<>) 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 tentatively accepted:


Ruben Abagyan ruben^at^

Kurt Zielenbach kzielenbach^at^

Stan Young genetree^at^

Johann GAsteiger Johann.Gasteiger)at(

Robert Pearlman pearlman)at(

Tim Clark clark)at(

Alex Kyseliov ask)at(

Dick Cramer cramer)at(


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 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)



Tudor I. Oprea, M.D. Ph.D.

Professor of Biochemistry and Molecular Biology

Division of Biocomputing

University of New Mexico School of Medicine

MSC08 4560

1 University of New Mexico

Albuquerque NM 87131-0001 USA

(505) 272 3694 (Phone)