Monday, July 28, 2008

eScience Workshop for Cheminformatics and Drug Discovery

The call for papers for the eScience for Cheminformatics and Drug Discovery Workshop is now open. It will take place in Indianapolis on Dec 11, 2008 as part of the 4th IEEE International Conference on e-Science. The deadline for submission is Aug 10, 2008.


David Wild, Indiana University, USA
Rajarshi Guha, Indiana University, USA
Marlon Pierce, Indiana University, USA

Organizing and Program Committee

Dr. Ajay, NIH (P.C. only)
Dr. Jean-Claude Bradley, Drexel University
Dr. Curt Breneman, RPI
Dr. Jeremy Frey, University of Southampton
Dr. Phil Hajduk, Abbott Laboratories
Dr. Michael Lajiness, Eli Lilly
Dr. Peter Murray-Rust, University of Cambridge
Dr. Kerby Shedden, University of Michigan
Dr. Alex Tropsha, UNC School of Pharmacy
Dr. Ian Watson, Eli Lilly


Cheminformatics is becoming an increasingly important part of drug discovery, chemistry, biology, toxicology and environmental science. There are now huge volumes of information about chemical compounds and their related biological properties available in the public domain, as well as in proprietary databases, and a large number of computations that can be applied to this information. There is thus much interest in the application of eScience and cyberinfrastructure to such information mining and computation problems. We are requesting papers that will cover a variery of aspects of this emerging application of eScience and grid computing in chemistry, cheminformatics, biology, toxicology, environmental science and computer-aided drug discovery. Papers should address one or more of the following areas:

* Computation on extremely large chemical datasets (>10m chemical structures)
* Distributed data mining of large chemical and biological datasets
* Grand challenges in cheminformatics
* High impact opportunities for cheminformatics and eScience
* Cloud computing infrastructure requirements for cheminformatics
* Chemistry-aware search engines and journal article processing tools
* Natural Language Processing and Semantic Web applications

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