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)
Scientist C, National Chemical Laboratory, Pune (CSIR), Pune (2000-2005)
Scientist E1, National Chemical Laboratory, Pune (CSIR), Pune (2005-)
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
MEMBER (with Illustrious circle of Scholars!)
1. Editorial Advisory Board (Wiley's Molecular Informatics 2010-)
2. Editorial Advisory Board (QSAR World)
3. American Chemical Society (Member)
4. Scientific Advisory Board [DrugInfoMeet]
Collaboration/Teaching/Training in National Universities & Institutes
University of Pune
Poona College, Pune
DY Patil Insitute of Bioinformatics and Biotechnolgy, Pune
International Institute of information technology, Pune
Bharat University,Chennai
Lady Dock College, Madurai
Centre for Post-graduate studies, Pondicherry
Pondicherry Engineering College, Pondicherry
Pondicherry University, Pondicherry
Bharatiar University, Coimbutore
Amrita University, Coimbutore
St Alberts College, Kochi
SB College, Chenganacheri
PSN College of Engineering, Tirunelveli
Industry Training/Consulting
Jubilant Biosys
Rallis India Pvt Limited
International Collaborators
University of Northcarolina (Prof. Alex Tropsha)
University of Leiden (Prof. Andreas Bender)
University of Cambridge (Prof. RC Glen)
Helmholtz Zentrum Muenchen Institute, Germany (Igor Tetko)
moltable Counter
Muthukumarasamy Karthikeyan Ph.D 