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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.
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S. Bapat, Viswanadh, N., Mujahid, M., Shirazi, A. Nasrolahi, Tiwari, R., Parang, K., Karthikeyan, M., Muthukrishnan, M., and Vyas, R., “Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-chromone fused α-aminophosphonates as Src kinase inhibitors”, Journal of Scientific and Industrial Research, vol. 78, no. 2, pp. 111-117, 2019.
S. Bapat, Viswanadh, N., Mujahid, M., Shirazi, A. N., Tiwari, R. K., Parang, K., Karthikeyan, M., Muthukrishnan, M., and Vyas, R., “Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-Chromone fused alpha-aminophosphonates as src kinase inhibitors”, Journal of Scientific & Industrial Research, vol. 78, no. 2, pp. 111-117, 2019.
R. Vyas, Bapat, S., Jain, E., Tambe, S. S., Karthikeyan, M., and Kulkarni, B. D., “Study of applications of machine learning based classification methods for virtual screening of lead molecules”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 658-672, 2015.
M. Mujahid, Perumal, Y., Sriram, D., Basavanag, U. M. V., Dıaz-Cervantes, E., Cordoba-Bahena, L., Robles, J., Gonnade, R. Ghanshyam, Karthikeyan, M., Vyas, R., and M. Krishnan, M., “Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies”, RSC Advances, vol. 5, no. 129, 2015.
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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 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.
N. Shaikh, Bapat, S., Karthikeyan, M., and Vyas, R., “Review on computational analysis of big data in breast cancer for predicting potential biomarkers”, Current Topics in Medicinal Chemistry, vol. 22, no. 21, pp. 1793-1810, 2022.
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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.
K. Shrinivas, Kulkarni, R. P., Shaikh, S., Ghorpade, R. V., Vyas, R., Tambe, S. S., Ponrathnam, S., and Kulkarni, B. D., “Prediction of reactivity ratios in free radical copolymerization from monomer resonance-polarity (Q-e) parameters: genetic programming-based models”, International Journal of Chemical Reactor Engineering, vol. 14, no. 1, pp. 361-372, 2016.
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.
R. Vyas, Karthikeyan, M., Nainaru, G., and Muthukrishnan, M., “Pharmacophore and docking based virtual screening of validated mycobacterium tuberculosis targets”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 624-637, 2015.
R. Vyas, Goel, P., Karthikeyan, M., Tambe, S. S., and Kulkarni, B. D., “Pharmacokinetic modeling of caco-2 cell permeability using genetic programming (GP) method”, Letters in Drug Design & Discovery, vol. 11, no. 9, pp. 1112-1118, 2014.
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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 and Vyas, R., “Machine learning methods in chemoinformatics for drug discovery”, in Practical Chemoinformatics, Springer, 2014, pp. 133-194.
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V. Nalla, Shaikh, A., Bapat, S., Vyas, R., Karthikeyan, M., Yogeeswari, P., Sriram, D., and Muthukrishnan, M., “Identification of potent chromone embedded [1,2,3]-triazoles as novel anti-tubercular agents”, Royal Society Open Science, vol. 5, no. 4, p. Article Number: 171750, 2018.
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P. Goel, Bapat, S., Vyas, R., Tambe, A., and Tambe, S. S., “Genetic programming based quantitative structure-retention relationships for the prediction of Kovats retention indices”, Journal of Chromatography A, vol. 1420, pp. 98-109, 2015.
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S. Bapat, Vyas, R., and Karthikeyan, M., “Exploring energy profiles of protein-protein interactions (PPIs) Using DFT method”, Letters in Drug Design & Discovery, vol. 16, no. 6, pp. 670-677, 2019.
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D. Karade, Vijayasarathi, D., Kadoo, N., Vyas, R., Ingle, P. K., and Karthikeyan, M., “Design of novel drug-like molecules using informatics rich secondary metabolites analysis of Indian medicinal and aromatic plants”, Combinatorial Chemistry & High Throughput Screening, vol. 23, no. 10, pp. 1113-1131, 2020.
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, 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.
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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 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, 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 and Vyas, R., “ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files”, Journal of Cheminformatics, vol. 8, p. Article Number: 73, 2016.
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.
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R. Vyas, Bapat, S., Jain, E., Karthikeyan, M., Tambe, S., and Kulkarni, B. D., “Building and analysis of protein-protein interactions related to diabetes mellitus using support vector machine, biomedical text mining and network analysis”, Computational Biology and Chemistry, vol. 65, pp. 37-44, 2016.
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.
A
R. Vyas, Bapat, S., Goel, P., Karthikeyan, M., Tambe, S. S., and Kulkarni, B. D., “Application of genetic programming (GP) formalism for building disease predictive models from protein-protein interactions (PPI) data”, IEEE-ACM Transactions on Computational Biology and Bioinformatics, vol. 15, no. 1, pp. 27-37, 2018.