Contact
Muthukumarasamy Karthikeyan Ph.D
(CHEMOINFORMATICS)
Scientist E1, Information Division
Digital Information Resource Center (DIRC)
National Chemical Lab. 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/
Research Expertise / Experience
Chemoinformatics, Bioinformatics, Organic Synthesis, Information Technology
Educational Qualification
Ph.D (Chemistry) [click here for PhD thesis fulltext] [1991-1998] National Chemical Laboratory, Pune
BSc-Chemistry (1986-89) & MSc-Chemistry (1989-91) (Pondicherry University)
Earlier Appointments
Scientist, ARDE (DRDO), Pune (1998-2000)
Researcher/Scientist National Chemical Laboratory, Pune (CSIR), Pune (1991-till date)
Recognized Research Guide for PhD, University of Pune (Currently Accepting NET/GATE qualified students for PhD Program in Chemistry, Chemoinformatics, Bioinformatics)
Key Publications (International Collaboration)
1 Chemoinformatics A tool for modern drug discovery, (2002) Intl. J. Inf. Tech Mgmt. 1, (1), 69-82. [Click here for FullText] [Invited Review Article]
2 Encoding and Decoding Graphical Chemical Structures as Two-Dimensional (PDF417) Barcodes M. (2005) J. Chem. Inf. Model.; 45(3) pp 572 - 580 [Click Here] [IF*: 3.643]
3 General Melting Point Prediction Based on a Diverse Compound Data Set and Artificial Neural Networks. (2005) J. Chem. Inf. Model.; 45(3) pp 581 - 590. [IF*: 3.643]
4 Harvesting Chemical Information from the Internet Using a Distributed Approach: ChemXtreme (2006) J. Chem. Inf. Model., 46 (2), 452 -46 1.[Click Here] [IF*: 3.643]
5 Distributed Chemical Computing Using ChemStar: Open Source Java RMI Architecture applied to Large Scale Molecular Data from PubChem. (2008) J. Chem. Inf. Model., 48 (4), 691-703.[Click Here] (Pubchem 12 million molecules with computed data!) [IF*: 3.643]
Other publications with collaborators (Intra-Institutional)
6. EPZ-10 catalyzed regioselective transformation of alkenes into -iodo ethers, iodohydrins and 2-iodomethyl-2,3-dihydrobenzofurans Green Chem., (2002), 4, 325 - 327, DOI: 10.1039/b202725a (IF*: 4.542) (Dr Wakharkar et al)
7.Tryptophan residue in substrate binding of penicillin G acylase from Kluyvera citrophila: evidence from biochemical and modeling studies.” (2007) Enzyme and Microbial Technology 40, 1389-97 (Dr CG Suresh et al,) [IF*: 2.375]
8. Intramolecular Nucleophilic Addition of Silylenol Ether to Photosensitized Electron Transfer (PET) Generated Arene Radical Cations: A Novel Non-Reagent Based Carboannulation Reaction: M. Karthikeyan , G Pandey (1993) Tetrahedron Letters, Vol.34, No.(41), pp.6631-6634 [IF*: 2.538]
9. A New Intramolecular Alpha-Arylation Strategy of Ketones by the reaction of Silylenol ethers to PET Generated Arene Radical Cations: Construction of Benzannulated and Benzospiroannulated Compounds. M. Karthikeyan, G Pandey (1998), J. Org. Chem. Vol 63. No.(9), pp-2867-2872 [Click] [IF*: 3.952]
Meetings / International Conferences Organized: International Conference on chemoinformatics [22-24 January 2007]
AWARDS & Scientific Recognitions
1. Chemical Structure Association Trust & CSIR (1996) (ICIS: Interactive Chemical Information System at 4th Intl. Conf. Chem. Str.) TRAVEL AWARD & BURSARY
2. Commendation Certificate 1999 DRDO-New Delhi (1998-2000)
3. BOYSCAST Fellow (2003-04) Dept of Science & Technology New Delhi
4. Long term Overseas Associate (2007-08) Dept of Bio Tech - New Delhi
Invited MEMBER (with Illustrious circle of Scholars!)
1. Editorial Advisory Board (Wiley's Molecular Informatics 2010-)
2. Reviewer (ACS's J.Chem.Inf. Modeling 2005-)
3. Guest Editor (Combinatorial Chemistry & High Throughput Synthesis 2010- [Send your Articles])
4. Editorial Advisory Board (QSAR World 2007-)
Industry Training/Consulting
Jubilant Biosys (2005-2008)
Rallis India Pvt Limited (2009)
International Collaborators
University of Northcarolina (2002-) (Prof. Alex Tropsha)
University of Leiden (2008-) (Prof. Andreas Bender)
University of Cambridge(2004-) (Prof. RC Glen)
Helmholtz Zentrum Muenchen Institute(2008-), Germany (Igor Tetko)
Collaboration/Teaching/Training (Master's / PhD)
University of Pune [*] (2000-)
Poona College [*], Pune (2010-)
DY Patil Insitute of Bioinformatics and Biotechnolgy[*], Pune (2006-)
International Institute of information technology [*], Pune (2010-)
Bharat University,Chennai [* 2007]
Lady Dock College[*], Madurai (2008-)
Centre for Post-graduate studies[*], Pondicherry (2009-)
Pondicherry Engineering College[*], Pondicherry (2006-)
Pondicherry University[*], Pondicherry (2006-)
Bharatiar University[* 2009], Coimbutore
Amrita University[* 2006], Coimbutore
St Alberts College[* 2006] , Kochi
SB College[* 2006], Chenganacheri (*)
PSN College of Engineering[*], Tirunelveli (2010-)
Stella Maris College[*], Chennai (2005-)
I2IT - Pune (2008-)
* Invited Resource Person (chemoinformatics/bioinformatics)