Applications of
Cheminformatics & Chemical Modelling
to Drug Discovery
Drug Discovery Innovation



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Drug Discovery Innovation

InterAction Meeting, Philadelphia, 11 October 2005 (proceedings available through website)
(Joint InnovationWell and eCheminfo Session)

Drug Discovery Innovation

chaired by David Mosenkis

eCheminfo 2005 InterAction Meeting, 11-12 October 2005, Philadelphia, USA


Presenters & Discussion Leaders:
ABCD Chemoinformatics: Integrating chemoinformatics tools into everyday drug discovery practice, Victor Lobanov (Johnson & Johnson Pharmaceutical Research & Development, LLC)
Structure-Based Design of Allosteric Protein Kinase Inhibitors, Jeff Wiseman (Locus Pharmaceuticals)
An Interactive Environment for Multiparameter Optimization, James H Wikel (Coalesix)
Shape Signatures: A Tool for Rapid In Silico Screening and Clustering, Randy J. Zauhar (University of the Sciences in Philadelphia)
Computational Models are Needed to Make Drugs Safer and More Effective, G. Scott Lett (Bioanalytics Group)

InterAction Meeting, Basel, 10 November 2005 (proceedings available through website)
(Joint InnovationWell and eCheminfo Session)

Drug Discovery Innovation

chaired by Alan Gibbs (Johnson & Johnson Pharmaceutical Research & Development, LLC)

eCheminfo 2005 InterAction Meeting, 9-10 November 2005, Basel, Switzerland


Presenters & Discussion Leaders:
A New Clustering Algorithm for General Metric Spaces, Alan Gibbs (Johnson & Johnson Pharmaceutical Research & Development, LLC)
Metabolomics for White Biotechnology, Lars M. Blank (University of Dortmund and the Institute for Analytical Sciences (ISAS), Dortmund )
Analysis Based on Molecular Diversity, Steve Boyer (IBM)
Biosensor Platform Based on Magnetic Nano-Beads, Jeroen H. Nieuwenhuis (Philips Research)
Analytical Strategies for the Identification of Biomarkers in Biological Fluids, Gérard Hopfgartner (University of Geneva)
Is there any Sense in the Semantic Web?, Jim Cook (Volutio)

Recent decades have seen a proliferation of new technologies and approaches to drug discovery that have promised increases in productivity. Innovations such as combinatorial chemistry, high-throughput screening, and numerous "-omics" technologies have changed the nature of the drug discovery process, making vast amounts of new chemical and biological entities and data available. Yet the average cost of bringing a new drug to market, from the beginning of the discovery process through to regulatory approval, has risen steadily and now exceeds $800 million. And failure rates of drugs in the clinic have concurrently increased in recent years. Fundamentally, today's challenge to improve drug discovery efficiency is the same as always: reduce the cost, reduce the risk, and increase the likelihood of efficacious, safe new therapeutics. But from another perspective, today's innovators have the opportunity and the responsibility to learn from the successes and limitations of current practices. It is not sufficient to generate more compounds, more assay results, or more expression data. We need to understand what are the factors responsible for increasing the likelihood of positive clinical outcomes, and the innovative technologies, practices and individual and organisational behaviours that optimize those factors. While it would be naive to predict now which innovations will be the winners, some outlines of fruitful directions seem to be emerging: consideration of properties other than potency early in the discovery process; integrating and exploiting a diverse range of chemical and biological data; and expanding the breadth and depth of our understanding of the biological environment in which drugs must act.

This program presents and discusses novel and effective approaches that are contributing to progress in drug discovery innovation or that promise to significantly advance innovation in future R&D.

Posters

All registrants and members are eligible to submit a Poster. Attendees may view and discuss the Posters and leave messages for the authors on the Web site.

Poster Abstracts (of ca. 300 words) with Title, Institution, Authors and Contact Information should be submitted for consideration to echeminfo at douglasconnect.com Posters can be presented as HTML, pdf, Powerpoint or Word documents.

News and Announcements
Advanced Training Week
Drug Discovery Design & Planning Methods
Oxford, 21-25 Jul. 2008
InterAction Meetings 2008
Advances in Drug Discovery Informatics
Philadelphia, 14-17 Oct. 2008
InnovationWell
InnovationWell Workshops
Virtual Proceedings for Members
eCheminfo 2005 InterAction Meeting
eCheminfo 2004 Conference
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Open Archives as a Route for the Capture, Dissemination and Access to Chemical Information – Simon Coles, University of Southampton
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