About MolTable: An Open Access (Molecule Table) Portal for "Advanced Chemoinformatics Research, Training and Services" Experience the Dynamic Scientific Data Portal Now! 'Where Knowledge is Free' # Registered Users: 140 (24 Feb 2010) To Register at MolTable Please Click 'Sign-in' >> 'Create Account' Visitors are encouraged to register to MolTable. Registered users on approval (by e-mail) can try available & forth coming Molecular Informatics tools and databases from their computers (home / office) and mobile devices. MolTable support Open source, open access and open archive of scientific software tools and data. Please feel free to contact us for any improvement of this scientific data portal for molecular informatics. Major objectives: Use informatics methods to solve chemical problems (To support Advanced Research for Better Human Health, Food & Energy Security, Environment, Clean Water etc.,)
Contact: Muthukumarasamy Karthikeyan Ph.D
Sponsors: National Chemical Laboratory (CSIR), Department of Scientific and Industrial Research (DSIR, CSIR), Department of Science and Technology (DST), Department of Biotechnology (DBT), http://www.chemaxon.com , http://www.compchem.com
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NCL-Pune, India. We established chemoinformatics activity to facilitate academic/industrial research[Ref.1]. In this direction attempt has been made several predictive studies including a new QSPR strategy for predicting Melting point of diverse class of organic molecules[Ref.2] from chemical structure using artificial neural network. We also established new molecular encoding as barcodes (Ref.3) with truly computable structures for automatic input data to modeling and property prediction programs. We also established ChemXtreme (Ref.4) a program to harvest chemical information such as properties, activities, and toxicity of molecules from Internet web pages. we published ChemStar (5) a paper highlighting the Distributed computing environment (Ref 4-5) for calculating molecular properties for large collection of PubChem. Moltable portal established for searching chemical information from published literature (journals & patents, 4 decades, over 18 million articles). We also contributed in compiling MSDS datasheets for Central Pollution Control Board-New Delhi [click here] To create awareness and promote CHEMOINFORMATICS among the academic community and other scientific funding agencies in India, we recently organized an International Conference on Chemoinformatics (Jan 22-24, 2007) at National Chemical Laboratory, first of its kind in the country. We also provide academic and industrial training in building chemical-biological databases related to chemoinformatics and other In-house built Databases and commercial databases and Molecular Informatics Tools. 1 Chemoinformatics A tool for modern drug discovery, (2002) Intl. J. Inf. Tech Mgmt. 1, (1), 69-82. 3 Encoding and Decoding Graphical Chemical Structures as Two-Dimensional (PDF417) Barcodes M. (2005) J. Chem. Inf. Model.; 45(3) pp 572 - 580 |