Welcome NEW: Current Chemoinformatics Jobs [nil] Employers please send your requirements for FREE posting here.. 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.,). Moltable support to OSDD initiative of CSIR (Chemical Cloud Services) to harvest chemical data from publications and patents on MTB. (Read more on Dr APJ Kalam speech on OSDD) (Song on OSDD from MCC Calicut)
Compute Molecular Descriptors through MOLTABLE (Click here for instructions) Try it NOW! MolTable support BioDiversity Integration with Chemical Data. Currently hosts a database of kingdoms (entries): Animalia (1088821), Plantae (278501), Fungi (45622), Bacteria (9693), Chromista (7707), Protozoa (6822), Viruses (2083) and Archaea (281) with literature support. Interested researchers encouraged to contact us. ** International conference on "Cloud Computing for Education and Research": 19-20 January 2012 Contact: [LinkedIn] [ResearchGate] Muthukumarasamy Karthikeyan Ph.D[click to read thesis] National Chemical Lab (CSIR). Pune - 411 008, INDIA
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NCL-Pune, India. ChemRobot: Harvest Chemical Data from Images (LINK) 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Melting point of diverse class of organic molecules [click]] .(Update 22 May 2011: Dataset-2 12618 entries Range Model (unpublished)) We also established new molecular encoding as barcodes [click] with truly computable structures for automatic input data to modeling and property prediction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 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 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. [New: NCL's 40 years of Selected Publications*: 1970-2010] 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
* updates in progress
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