Monrovia, California (PressExposure) March 26, 2012 -- Francesca Milleti, Head of Cheminformatics & Statistics at Hoffmann-La Roche to give a Featured Presentation on "SAR analysis 3.0" at the 6th Drug Design & Medicinal Chemistry Conference on June 7-8, 2012 in San Diego, CA
SAR analysis 3.0
In our increasingly data-driven world, tools for extracting knowledge from data are critical to make solid decisions in the lead optimization stage. To fulfill this need, Roche is developing data mining and data analysis applications that make it easier to discover hidden trends in the data, as well as to extract information that guides the design of better compounds. These tools can help to discover chemical changes needed to increase a compound's selectivity profile, to quickly navigate multiple series of compounds and visualize multiple properties and assays simultaneously, and to automatically find associations in the data. We believe that this new generation of tools is highly needed to use current and historical data effectively.
New visualization tools for SAR data
-Interactive R-Group Decomposition Tables
Extracting knowledge from data
-Finding associations in the data automatically
-The matched-molecular pair concept: how to use it to extract knowledge?
An example for targeted kinase selectivity
GTC is proud to present the 6th Drug Design and Medicinal Chemistry Conference to be held on June 7-8, 2012 at the Hilton San Diego Resort & Spa in San Diego, CA. The conference will bring together leading industrial and academic experts to further collaborate on the exciting advances in the field. Experts will facilitate discourse on topics such as strategies for hit and target identification, fragment based drug design, chemoinformatics, protein-protein interactions, ligand based drug design, computer aided drug design, protein flexibility, high performance computing, covalent inhibitors, mutational resistance, selectivity of kinase inhibitors, potency, specificity, lead optimization, ADMET, safety in drug discovery, advances in drug delivery and much more.
The sessions for the 2012 agenda include
1). Druggability, Chemical Tractability, Druglikeness, Leadlikeness
2). Optimization Strategies
3). Advances in Drug Design & Delivery
4). Trends & Challenges in Drug Discovery.
The top companies and experts in the field of Drug Design & Medicinal Chemistry will come together to discuss the latest discoveries. Companies include ArQule, Array BioPharma, Astex Therapeutics, OSI Pharmaceuticals, GlaxoSmithKline, Merck, Pfizer, Bayer, Genentech, Hoffmann-La Roche, Eli Lilly, Genzyme.
Keynote & Featured Speakers Include:
Barry A. Morgan, Vice President, Molecular Discovery Research, Site Head in Boston, GlaxoSmithKline
Alexander Hillisch, Director, Medicinal Chemistry, Head, Computational Chemistry, Bayer
Francesca Milleti, Head, Cheminformatics & Statistics, Hoffmann-La Roche
This conference is part of the Drug Discovery and Regulatory Summit, which consists of three other conferences:
1) Antibody Design and Discovery
2) Biospecimen Repositories
3) Life Science Legal & Business Strategy
For more information, please visit http://www.gtcbio.com