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Entire CHEMSTAR DATA available for Download (Open Molecules) (12+ Million molecular data) http://moltable.ncl.res.in/chemstar/ (click here) (Structure Search option will be announced shortly) MOLTABLE goals are being redefined to extract and analyze molecular data from literature and patent information to support Chemical, Pharmaceutical and other Research activities. The Moltable initiatives to discover drug candidates against CANCER, AIDS, Malaria and other potentially devastating infectious diseases through chemoinformatics research. Drug candidates in various stages of research are being analyzed to discover new and promising candidates. Dynamic QSAR initiatives through 'focused' virtual library design and the results will be made 'open access' through Moltable portal. About Mol(ecule)Table: Chemistry, the science of materials and their transformation, exhibits a broad diversity of information, which by now encompasses an enormous body of knowledge about chemical structure, properties and reactions. Comparable efforts are needed to master the flood of information and accumulated knowledge in chemistry today. In this moltable initiatives we create several databases [click] of both chemical and pharmaceutical importance. During 2000, NCL we established a chemoinformatics research activity to facilitate academic and other advanced computational based informatics studies . In this direction attempt has been made on a new QSPR strategy for predicting Melting point of diverse class of organic molecules [click here for publication] from chemical structure using artificial neural network. We also established new molecular encoding as barcodes [click here for publication] with truly computable structures for automatic input data to modeling and property prediction programs. We also established ChemXtreme a program to harvest chemical information [click here for publication] such as properties, activities, and toxicity of molecules from Internet web pages. we published ChemStar [click here for publication] a paper highlighting the Distributed computing environment for calculating molecular properties for large collection of PubChem. The source code and data freely accessible [click here for publication] We also provide academic and industrial training in building chemical-biological databases related to chemoinformatics and other commercial databases and Tools. Please feel free to contact us. Last updated: 30 Apr 2009 |
