biblio

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Conference Paper
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 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, 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.
Journal Article
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.
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., ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files, Journal of Cheminformatics, vol. 8, p. Article Number: 73, 2016.
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, 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, 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., Design and development of new chemoinformatics tools for virtual screening, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 526-527, 2015.
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.
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.
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.
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.
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.
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.
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, 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, 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 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 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.