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, “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.
, “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.
, “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.
, “Tryptophan residue is identified in the substrate binding of penicillin G acylase from Kluyvera citrophila”, Enzyme and Microbial Technology, vol. 40, no. 5, pp. 1389-1397, 2007.
, “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.
, “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.
, “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.
, “Chemoinformatics approach for the design and screening of focused virtual libraries”, in Practical Chemoinformatics, India: Springer, 2014, pp. 93-131.
, “Docking and pharmacophore modelling for virtual screening”, in Practical Chemoinformatics, Springer, 2014, pp. 195 - 269.
, “Machine learning methods in chemoinformatics for drug discovery”, in Practical Chemoinformatics, Springer, 2014, pp. 133-194.
, “Open-source tools, techniques, and data in chemoinformatics”, in Practical Chemoinformatics, Springer, 2014, pp. 1-92.
, “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.
, “Chemoinformatics approach for building molecular networks from marine organisms”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 673-684, 2015.
, “ChemScreener: a distributed computing tool for scaffold based virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 544-561, 2015.
, “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.
, “Design and development of new chemoinformatics tools for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 526-527, 2015.
, “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.
, “Pharmacophore and docking based virtual screening of validated mycobacterium tuberculosis targets”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 624-637, 2015.
, “Prediction of bioactive compounds using computed NMR chemical shifts”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 562-576, 2015.
, “Protein ligand complex guided approach for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 577-590, 2015.
, “Role of chemical reactivity and transition state modeling for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 638-657, 2015.
, “Role of data and methods in chemoinformatics for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 622-623, 2015.
, “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.
, “Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies”, RSC Advances, vol. 5, no. 129, 2015.
, “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.
, “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.
, “ChemEngine: harvesting 3D chemical structures of supplementary data from PDF files”, Journal of Cheminformatics, vol. 8, p. Article Number: 73, 2016.
, “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.
, “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.
, “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.
, “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.
, “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.
, “Impact of stereochemistry on sharing chemical structures”, in 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, New Orleans, LA, 2018.
, “Exploring energy profiles of protein-protein interactions (PPIs) Using DFT method”, Letters in Drug Design & Discovery, vol. 16, no. 6, pp. 670-677, 2019.
, “Leukemia cancer detection using image analytics : (comparative study)”, in 2019 5th International Conference On Computing, Communication, Control And Automation (ICCUBEA), Pune, India, 2019.
, “p-Nitrophenylcarbonates: a new class of compounds for chemodosimetric colorimetric fluoride anion sensing detectable by the naked eye”, ChemistrySelect, vol. 4, no. 5, pp. 1830-1833, 2019.
, “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.
, “Zebrafish acid ceramidase: expression in Pichia pastoris GS115and biochemical characterization”, International Journal of Biological Macromolecules, vol. 122, pp. 587-593, 2019.
, “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.
, “BESFA: bioinformatics based evolutionary, structural & functional analysis of prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs”, Heliyon, vol. 8, no. 9, p. e10476, 2022.
, “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.