Welcome 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' 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.,). (Read more on Dr APJ Kalam speech on OSDD) Compute Molecular Descriptors through MOLTABLE (Click here for instructions) Try it NOW! Contact: [LinkedIn] [ResearchGate] Muthukumarasamy Karthikeyan Ph.D[click to read thesis] National Chemical Lab (CSIR). Pune - 411 008, INDIA
|
NCL-Pune, India. (MOLTABLE SUPPORTED EARTH HOUR About Us We established chemoinformatics activity for the past 15 years 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Melting point of diverse class of organic molecules [click]] .(Update 22 May 2011: Dataset-2 12618 entries Range Model (unpublished)) We also established new molecular encoding as barcodes [click] with truly computable structures for automatic input data to modeling and property prediction programs. We also established ChemXtreme a program to harvest chemical information such as properties, activities, and toxicity of molecules from Journal Articles and web resources. ChemStar(5) a paper highlighting the Distributed computing environment (Ref 4-5) for calculating molecular properties for large scale collection of PubChem Molecules. We also contributed in compiling MSDS datasheets for Central Pollution Control Board-New Delhi 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 [photos] [Read More..]. 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. What is new ? Compute Molecular Descriptors using Moltable Portal! [Click] * Cloud computing using chemoinformatics tools (Sponsored by Department of Science and Technology, New Delhi) 2010-2013 (distributed computing) * Harvest Molecular Data From Web (Sponsored by CSIR under EMPOWER Scheme) (related story) 2010-2012 * Ph.D & Project Assistant positions available in Chemoinformatics and related areas email your resume. * MOLTABLE support InChI Trust initiatives Also support Training Programs in Chemoinformatics Relevant Publications: 1 Chemoinformatics A tool for modern drug discovery, (2002) Intl. J. Inf. Tech Mgmt. 1, (1), 69-82. [DOI: 10.1504/IJITM.2002.001188] 3 Encoding and Decoding Graphical Chemical Structures as Two-Dimensional (PDF417) Barcodes M. (2005) J. Chem. Inf. Model.; 45(3) pp 572 - 580 |
