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M. Karthikeyan and Vyas, R., “CCCTK (Compute Cure for Cancer ToolKit) an open source drug discovery platform for design of novel anti-cancer agents”, in 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, New Orleans, LA, 2018.
M. Karthikeyan, “CCCTK: High performance molecular informatics toolkit for the design of anti-cancer molecule”, in 256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond, Boston, MA, 2018.
M. Karthikeyan and Vyas, R., “Biomedical literature mining for protein-protein interactions analysis using electronic mailing system”, in 253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes, San Francisco, CA, 2017.
M. Karthikeyan, Pahujani, R., and Vyas, R., “VIMAL: A chemoinformatics toolkit for design of novel antiviral agents through textmining of scientific literature”, in 253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes, San Francisco, CA, 2017.
M. Karthikeyan and Vyas, R., “Design and development of new chemoinformatics tools for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 526-527, 2015.
M. Karthikeyan and Vyas, R., “Role of open source tools and resources in virtual screening for drug discovery”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 528-543, 2015.
M. Karthikeyan, Pandit, D., and Vyas, R., “ChemScreener: a distributed computing tool for scaffold based virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 544-561, 2015.
M. Karthikeyan, Rajamohanan, P. Ramanpilla, and Vyas, R., “Prediction of bioactive compounds using computed NMR chemical shifts”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 562-576, 2015.
M. Karthikeyan, Pandit, D., and Vyas, R., “Protein ligand complex guided approach for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 577-590, 2015.
M. Karthikeyan, Pandit, Y., Pandit, D., and Vyas, R., “MegaMiner: a tool for lead identification through text mining using chemoinformatics tools and cloud computing environment”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 591-603, 2015.
M. Karthikeyan, Pandit, D., Bhavasar, A., and Vyas, R., “Design and development of cheminfocloud: an integrated cloud enabled platform for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 604-619, 2015.
M. Karthikeyan and Vyas, R., “Role of data and methods in chemoinformatics for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 622-623, 2015.
M. Karthikeyan, Vyas, R., Tambe, S. S., Radhamohan, D., and Kulkarni, B. D., “Role of chemical reactivity and transition state modeling for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 638-657, 2015.
M. Karthikeyan, Nimje, D., Pahujani, R., Tyagi, K., Bapat, S., Vyas, R., and Padmakumar, K. Pillai, “Chemoinformatics approach for building molecular networks from marine organisms”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 673-684, 2015.
M. Karthikeyan, “ChemInfoCloud: opensource based cloud compatible chemical textmining tools for harvesting largescale medical literature”, 248th National Meeting of the American-Chemical-Society (ACS), vol. 248. American Chemical Society, 1155 16th ST, NW, Washington, DC 20036 USA, p. Meeting Abstract: 69-CINF, 2014.
M. Karthikeyan, “Computer vision based chemical information extraction from digital images and streaming videos”, in 242nd National Meeting of the American-Chemical-Society (ACS), 1155 16th ST, NW, Washington, DC 20036 USA, 2011, vol. 242.
M. Karthikeyan, Krishnan, S., Pandey, A. Kumar, Bender, A., and Tropsha, A., “Distributed chemical computing using chemstar: an open source java remote method invocation architecture applied to large scale molecular data from pubchem”, Journal of Chemical Information and Modeling, vol. 48, no. 4, pp. 691-703, 2008.
M. Karthikeyan, Krishnan, S., Pandey, A. K., and Bender, A., “Harvesting chemical information from the Internet using a distributed approach: chemxtreme”, Journal of Chemical Information and Modeling, vol. 46, no. 2, pp. 452-461, 2006.
M. Karthikeyan and Bender, A., “Encoding and decoding graphical chemical structures as two-dimensional (PDF417) barcodes”, Journal of Chemical Information and Modeling, vol. 45, no. 3, pp. 572-580, 2005.
M. Karthikeyan, Glen, R. C., and Bender, A., “General melting point prediction based on a diverse compound data set and artificial neural networks”, Journal of Chemical Information and Modeling, vol. 45, no. 3, pp. 581-590, 2005.
M. Karthikeyan, “Docking and pharmacophore modelling for virtual screening”, in Practical Chemoinformatics, Springer, 2014, pp. 195 - 269.
M. Karthikeyan and Vyas, R., “Machine learning methods in chemoinformatics for drug discovery”, in Practical Chemoinformatics, Springer, 2014, pp. 133-194.
M. Karthikeyan and Vyas, R., “Chemoinformatics approach for the design and screening of focused virtual libraries”, in Practical Chemoinformatics, India: Springer, 2014, pp. 93-131.
M. Karthikeyan, “Open-source tools, techniques, and data in chemoinformatics”, in Practical Chemoinformatics, Springer, 2014, pp. 1-92.
M. Karthikeyan and Vyas, R., “ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files”, Journal of Cheminformatics, vol. 8, p. Article Number: 73, 2016.