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MolTable: An Open Access Portal for "Advanced Chemoinformatics Research, Training and Services"

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# Registered Users: 107 (05 Feb 2010)

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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.

Contact:

Muthukumarasamy Karthikeyan Ph.D 
Scientist E1,(CHEMOINFORMATICS)
Digital Information Resource Center (DIRC)
National Chemical Lab (CSIR). Pune - 411 008, INDIA
karthincl@gmail.com, m.karthikeyan@ncl.res.in
Ph: (O) +91-(0)-20 2590-2483
(M-F: 9.00AM-5.30PM IST)
Mobile: +91-(0)-976-742-7981
URL:
http://moltable.ncl.res.in/
Open Access initiative Dspace@NCL

 

Sponsors: National Chemical Laboratory (CSIR), Department of Scientific and Industrial Research (DSIR, CSIR), Department of Science and Technology (DST), Department of Biotechnology (DBT)

 

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NCL-Pune, India. NCL-Pune, India.

 

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 (2005, JCIM) from chemical structure using artificial neural network. We also established new molecular encoding as barcodes (2005, JCIM) with truly computable structures for automatic input data to modeling and property prediction programs. We also established ChemXtreme (2006, JCIM) a program to harvest chemical information such as properties, activities, and toxicity of molecules from Internet web pages. we published ChemStar (2008, JCIM) a paper highlighting the Distributed computing environment (2006-07, JCIM) for calculating molecular properties for large collection of PubChem. The source code and data freely accessible. Moltable portal for searching chemical information from published literature especially on Drug Design (8000+ journals, 4 decades, 18 million articles)

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.

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.