General melting point prediction based on a diverse compound data set and artificial neural networks M Karthikeyan, RC Glen, A Bender
Journal of chemical information and modeling 45 (3), 581-590, 2005
154 2005 New intramolecular α-arylation strategy of ketones by the reaction of silyl enol ethers to photosensitized electron transfer generated arene radical cations: construction of … G Pandey, M Karthikeyan, A Murugan
The Journal of Organic Chemistry 63 (9), 2867-2872, 1998
46 1998 Practical chemoinformatics M Karthikeyan, R Vyas
Springer, 2014
42 2014 EPZ-10 catalyzed regioselective transformation of alkenes into β-iodo ethers, iodohydrins and 2-iodomethyl-2, 3-dihydrobenzofurans A Vishal
Green Chemistry 4 (4), 325-327, 2002
39 2002 Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies M Mujahid, P Yogeeswari, D Sriram, UMV Basavanag, E Díaz-Cervantes, ...
RSC advances 5 (129), 106448-106460, 2015
33 2015 Intramolecular nucleophilic addition of silylenol ether to photosensitized electron transfer (PET) generated arene radical cations: a novel non-reagent based carboannulation … G Pandey, A Krishna, K Girija, M Karthikeyan
Tetrahedron letters 34 (41), 6631-6634, 1993
33 1993 Encoding and decoding graphical chemical structures as two-dimensional (PDF417) barcodes M Karthikeyan, A Bender
Journal of chemical information and modeling 45 (3), 572-580, 2005
27 2005 Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis AS Gaur, A Bhardwaj, A Sharma, L John, MR Vivek, N Tripathi, ...
Journal of Chemical Sciences 129, 515-531, 2017
20 2017 Machine Learning Methods in Chemoinformatics for Drug Discovery M Karthikeyan, R Vyas
Practical Chemoinformatics 1, 133-194, 2014
19 2014 Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem M Karthikeyan, S Krishnan, AK Pandey, A Bender, A Tropsha
Journal of chemical information and modeling 48 (4), 691-703, 2008
17 2008 Harvesting chemical information from the Internet using a distributed approach: ChemXtreme M Karthikeyan, S Krishnan, AK Pandey, A Bender
Journal of chemical information and modeling 46 (2), 452-461, 2006
16 2006 ChemScreener: A distributed computing tool for scaffold based virtual screening M Karthikeyan, D Pandit, R Vyas
Combinatorial chemistry & high throughput screening 18 (6), 544-561, 2015
15 2015 Remote monitoring and controlling physical parameters of a material under transportation M Karthikeyan, R Vyas
US Patent 10,628,720, 2020
13 2020 Role of open source tools and resources in virtual screening for drug discovery M Karthikeyan, R Vyas
Combinatorial chemistry & high throughput screening 18 (6), 528-543, 2015
13 2015 SIMULATED CARBON AND PROTON NMR CHEMICAL SHIFTS BASED BINARY FINGERPRINTS FOR VIRTUAL SCREENING M Karthikeyan
WO Patent WO 2014/207670 A1 (http://tinyurl.com/lgpayvu), 2014
13 * 2014 chemical structure recognition tool M Karthikeyan
US Patent US 2014/0301608 A1 (http://patentimages.storage.googleapis.com …, 2014
12 2014 Chemoinformatics: a tool for modern drug discovery M Karthikeyan, S Krishnan
International journal of information technology and management 1 (1), 69-82, 2002
11 2002 A study of applications of machine learning based classification methods for virtual screening of lead molecules R Vyas, S Bapat, E Jain, S S Tambe, M Karthikeyan, B D Kulkarni
Combinatorial Chemistry & High Throughput Screening 18 (7), 658-672, 2015
10 2015 Comprehensive molecular docking and dynamic simulations for drug repurposing of clinical drugs against multiple cancer kinase targets N Shaikh, RK Linthoi, KV Swamy, M Karthikeyan, R Vyas
Journal of Biomolecular Structure and Dynamics 41 (16), 7735-7743, 2023
8 2023 Pharmacokinetic modeling of Caco-2 cell permeability using genetic programming (GP) method R Vyas, P Goel, M Karthikeyan, SS Tambe, BD Kulkarni
Letters in Drug Design & Discovery 11 (9), 1112-1118, 2014
7 2014