State-of-the-Art Cheminformatics Approaches in Drug Discovery

Pre-Conference Short Course on State-of-the-Art Cheminformatics Approaches in Drug Discovery: Enterprise and Standalone Cheminformatics Solutions for Library Design
 
April 13, 2012 - PRLog -- Needham, MA – Cambridge Healthtech Institute announces the State-of-the-Art Cheminformatics Approaches in Drug Discovery: Enterprise and Standalone Cheminformatics Solutions for Library Design Short Course, Sponsored by ChemAxon Ltd.  This Short Course will be taking place Tuesday, June 5, 2012 as part of the first annual Bio-IT World Asia Conference (June 6-8) at the Marina Bay Sands in Singapore.  For more information, visit:  http://www.Bio-ITWorldAsia.com

The State-of-the-Art Cheminformatics Approaches in Drug Discovery: Enterprise and Standalone Cheminformatics Solutions for Library Design Short Course will be instructed by:  Wei Deng, Ph.D., Application Scientist, ChemAxon Ltd.

About The Short Course:
Fragment-based drug discovery (FBDD) has become the mainstream of pharmaceutical and biotech research since relevant practical technology allows the detection the weak interaction between a fragment and the target. A generally accepted roadmap is now available to guide fragment-to-lead evolution when structural information is available. Here we describe a sample roadmap facilitated by cheminformatics approaches developed by ChemAxon.

a. Creation and management of a local database by Instant JChem. Loading initial vendor libraries into the chemical database.

b. Generating a fragment library by Fragmenter. Fragments are stored in a local chemical database.

c. Selection and characterization of fragments by Calculator plugins and Screen in a local database (phys-chem property prediction, chemical structure and similarity searches).

d. Virtual reaction synthesis in a database, generating a virtual library of selected fragments.

Products: Instant JChem, Knime, Screen, JKlustor, Reactor, SharePoint, Calculator plugins

The Bio-IT World Asia 2012 Conference will bring together, life sciences, pharmaceutical, informatics and IT professionals from all over Asia and the rest of the world to one unique location. The Event provides the perfect venue to share information and discuss enabling technologies that are driving biomedical research and the drug development process.

For more information, visit:  http://www.Bio-ITWorldAsia.com

About Bio-IT World Events (www.events.bio-itworld.com)

Since its debut in 2002, the annual Bio-IT World Conference & Expo, held each Spring in Boston, has established itself as a premier event showcasing the myriad applications of IT and informatics to biomedical research and the drug discovery enterprise. Over 2,000 delegates representing 30 countries have gathered yearly to attend 125+ technology and scientific presentations and view an expansive exhibit hall of 100+ companies. Bio-IT World Conference continues its exceptional series of educational programming with the announcement of the Inaugural Bio-IT World Conference Asia.

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Bio-IT World focuses on the tools and results of predictive biology, drug discovery, informatics, clinical trials, and personalized medicine as well as the strategic decisions made by companies in this area and the impact on the company’s performance.
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