Muthukumarasamy Karthikeyan ,
Ph.D.,
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|
1. |
Name and full correspondence address |
Dr. Muthukumarasamy
Karthikeyan Chief Scientist Chemical Engineering and Process Development CSIR-National Chemical Laboratory, Pune |
|
2. |
Email(s) and contact number(s) |
m.karthikeyan@ncl.res.in, karthincl@gmail.com Lab no.+91-(0)20-25902483 |
|
3. |
Institution |
CSIR-National Chemical Laboratory |
|
4. |
Date
of Birth |
7th
December 1968 |
|
5. |
Gender
(M/F/T) |
M |
Academic Qualification:
|
Sl.No |
Degree |
Year |
Subject |
University/Institute |
|
|
B.Sc |
|
|
Tagore
Arts College Pondicherry
University |
|
|
M.Sc |
|
MSc
Chemistry |
CPGS
Pondicherry University |
|
3 |
Ph.D |
1998 |
Organic
Chemistry |
Pune
University (NCL Pune) |
|
4 |
BOYSCAST
Fellow (DST) |
|
Chemoinformatics |
University
of Northcarolina, Chapel Hill, NC, USA |
|
5 |
DBT
Overseas Associate |
|
Chemoinformatics |
University
of Northcarolina, Chapel Hill, NC, USA |
|
6 |
M.Sc |
|
Computer Science (First Class) |
Anna University, MIT Campus, Chennai |
|
7 |
PG Diploma (MBA) |
|
Marketing |
IGNOU, New Delhi |
Ph.D thesis title, Guide's Name, Institute/Organization/University,
Year of Award Title: Photoinduced Electron Transfer (PET) promoted carboannulation Strategy: Arene
Radical Cation in carbon-carbon bond formation reaction.". Guide Name: Dr Ganesh Pandey, Institute:
CSIR- National Chemical Laboratory , Pune (Degree
awarded by Pune University in 1998).
Work experience (in
chronological order).
|
Sl.No |
Positions held |
Name of the Institute |
From
|
To |
|
1 |
Scientist B |
DRDO-ARDE Pune |
18-Mar-1998 |
12-Mar-2000 |
|
2 |
Scientist C (Scientist) |
CSIR-NCL, Pune |
13-Apr-2000 |
12-Mar-2005 |
|
3 |
Scientist E1 (Senior Scientist) |
CSIR-NCL, Pune |
13-Apr-2005 |
12-Mar-2010 |
|
4 |
Scientist E2 (Pr. Scientist) |
CSIR-NCL, Pune |
13-Apr-2010 |
12-Mar-2016 |
|
5 |
Scientist F (Sr
Pr Scientist) |
CSIR-NCL, Pune |
13-Apr-2016 |
12-Mar-2021 |
|
6 |
Scientist G / Chief Scientist |
CSIR-NCL, Pune |
13th April 2021 |
Till date |
Areas of research:
His
Research Experience includes Synthetic Organic Chemistry: Multi-step organic
synthesis, Carboannulation, Spiro cyclization, chemoinformatics, bioinformatics, artificial intelligence,
robotics, Internet of chemical things etc.
Awards:
He
is a recipient of several recognitions starting with Commendation Certificate by Defence
Research and Development Organization (DRDO), New Delhi, 26 Jan 1999 and DST BOYSCAST Award (2003-04) for
post-doctoral research in University of Northcarolina,
Chapel hill, Northcarolina, USA in the area of ML, QSAR for anticancer drug design. He is also the
recipient of DBT Overseas Associate
Award (2007-08) at Chapel hill, Northcarolina, USA. He is the winner of Innocentive global award (Stanford Law School) for the year 2017 and WAZOKU
global award for the year 2023 for solving problems related to BIG DATA multidimensional
data analysis.He is WAZOKU
global award Winner (Angilini Pharma) for the year 2024 on Novel target identification for EPILEPSY using digital approaches
1.
Intramolecular nucleophilic addition of silylenol ether to photosensitized electron transfer (PET)
generated arene radical cations: a novel non-reagent
based carboannulation reaction Pandey, Ganesh,
Krishna, A, Girija, K, M. Karthikeyan, 1993 Tetrahedron letters 34 6631-6634
2.
Photoinduced electron
transfer (PET) promoted carboannulation strategy: arene radical cation in carbon-carbon bond formation
reaction M. Karthikeyan, 1998
CSIR-National Chemical Laboratory, Pune
3.
New intramolecular α-arylation
strategy of ketones by the reaction of silyl enol ethers to photosensitized
electron transfer generated arene radical cations:
construction of benzannulated and benzospiroannulated
compounds Pandey, Ganesh, M. Karthikeyan,
Murugan, A, 1998 The Journal of Organic Chemistry 63
2867-2872
4.
Searching Video Segments through Transcript,
Metadata, and SVG Objects M. Karthikeyan,
Uzagare, Deepak, Krishnan, Subramanian, Yang, Meng, Marchionini, Gary, 2002 Digital
Libraries: People, Knowledge, and Technology: 5th International Conference on
Asian Digital Libraries, ICADL 2002 Singapore, December 11–14, 2002 Proceedings
5 528-528
5.
EPZ-10 catalyzed regioselective transformation of alkenes into β-iodo ethers, iodohydrins and
2-iodomethyl-2, 3-dihydrobenzofurans Vishal, A, M. Karthikeyan 2002 Green Chemistry 4 325-327
6.
Chemoinformatics: a
tool for modern drug discovery M.
Karthikeyan, Krishnan, Subramanian, 2002 International journal of
information technology and management 1 69-82
7.
PharmTree 2.1 M. Karthikeyan, 2003
Journal of Chemical Information and Computer Sciences 43 2194-2195
8.
Encoding and decoding of graphical chemical
structure as commercial barcodes M. Karthikeyan, 2005 GAP, 224026
9.
General melting point prediction based on a
diverse compound data set and artificial neural networks M. Karthikeyan, Glen, Robert C, Bender, Andreas, 2005 Journal of chemical information
and modeling 45 581-590
10.
Encoding and decoding graphical chemical
structures as two-dimensional (PDF417) barcodes M. Karthikeyan, Bender, Andreas, 2005 Journal of chemical information
and modeling 45 572-580
11.
Harvesting chemical information from the
Internet using a distributed approach: ChemXtreme M. Karthikeyan, Krishnan, Subramanian,
Pandey, Anil Kumar, Bender, Andreas, 2006 Journal of chemical information
and modeling 46 452-461
12.
Distributed chemical computing using ChemStar: an open source java remote method invocation
architecture applied to large scale molecular data from PubChem M. Karthikeyan, Krishnan, Subramanian,
Pandey, Anil Kumar, Bender, Andreas, Tropsha, Alexander, 2008 Journal of chemical
information and modeling 48 691-703
13.
ChemTextMiner: An open
source tool kit for mining medical literature abstracts M. Karthikeyan, Pandit, Yogesh, Pandit, Deepak, Nainaru, Ganesh, Nalwade, Sunil, Renu Vyas, Jain, Esha, 2011 Nature Publishing Group
14.
Chemical Structure Representations and
Applications in Computational Toxicity M.
Karthikeyan, Renu Vyas, 2012 Computational
Toxicology: Volume I 167-192
15.
ChemTextMiner: An open
source tool kit for mining medical literature abstracts Jain, Esha, M. Karthikeyan,
Pandit, Yogesh, Pandit, Deepak, Nainaru, Ganesh, Nalwade, Sunil, Renu Vyas, 2012 Nature
Precedings 01-Jan
16.
Pharmacokinetic modeling
of Caco-2 cell permeability using genetic programming (GP) method Renu Vyas, Goel, Purva, M. Karthikeyan,
Tambe, SS, Kulkarni, BD, 2014 Letters in Drug Design & Discovery 11
1112-1118
17.
Practical chemoinformatics
M. Karthikeyan, Renu
Vyas, 2014 Springer
18.
A study of applications of machine learning based
classification methods for virtual screening of lead molecules Renu Vyas, Bapat, Sanket, Jain, Esha, S Tambe, Sanjeev, M.
Karthikeyan, D Kulkarni, Bhaskar, 2015 Combinatorial Chemistry & High
Throughput Screening 18 658-672
19.
Role of open source tools and resources in
virtual screening for drug discovery M.
Karthikeyan, Renu Vyas, 2015 Combinatorial
chemistry & high throughput screening 18 528-543
20.
Role of chemical reactivity and transition state
modeling for virtual screening M. Karthikeyan, Renu Vyas,
S Tambe,
Sanjeev, Radhamohan, Deepthi,
D Kulkarni, Bhaskar, 2015 Combinatorial Chemistry & High
Throughput Screening 18 638-657
21.
MegaMiner: a tool for
lead identification through text mining using chemoinformatics
tools and cloud computing environment M.
Karthikeyan, Pandit, Yogesh,
Pandit, Deepak, Renu Vyas, 2015
Combinatorial Chemistry & High Throughput Screening 18 591-603
22.
ChemScreener: A
distributed computing tool for scaffold based virtual screening M. Karthikeyan, Pandit,
Deepak, Renu Vyas, 2015 Combinatorial chemistry &
high throughput screening 18 544-561
23.
Pharmacophore and docking based virtual
screening of validated Mycobacterium tuberculosis targets Renu
Vyas, M. Karthikeyan, Nainaru, Ganesh, Muthukrishnan, Murugan, 2015 Combinatorial Chemistry & High
Throughput Screening 18 624-637
24.
Prediction of Bioactive Compounds Using Computed
NMR Chemical Shifts M. Karthikeyan, Ramanpillai Rajamohanan, Pattuparambil, Renu Vyas, 2015 Combinatorial
Chemistry & High Throughput Screening 18 562-576
25.
Design and development of ChemInfoCloud:
an integrated cloud enabled platform for virtual screening M. Karthikeyan, Pandit, Deepak, Bhavasar, Arvind, Renu Vyas, 2015
Combinatorial Chemistry & High Throughput Screening 18 604-619
26.
Editorial (Thematic Issue: Design and
Development of New Chemoinformatics Tools for Virtual
Screening) M. Karthikeyan, Renu Vyas, 2015 Combinatorial Chemistry & High
Throughput Screening 18 526-527
27.
Protein Ligand Complex Guided Approach for
Virtual Screening M. Karthikeyan, Pandit, Deepak, Renu Vyas, 2015 Combinatorial
Chemistry & High Throughput Screening 18 577-590
28.
Spirochromone-chalcone
conjugates as antitubercular agents: synthesis, bio
evaluation and molecular modeling studies Mujahid, M, Yogeeswari, P, Sriram, D, Basavanag, UMV, Díaz-Cervantes, Erik, Córdoba-Bahena,
Luis, Robles, Juvencio, Gonnade, RG, M. Karthikeyan, Renu
Vyas, 2015 RSC advances 5 106448-106460
29.
Assessing therapeutic potential of molecules:
molecular property diagnostic suite for tuberculosis (MPDS^ TB)(MPDS
TB) Gaur, Anamika Singh, Bhardwaj, Anshu, Sharma, Arun, John, Lijo, Vivek, M Ram, Tripathi, Neha, Bharatam, Prasad
V, Kumar, Rakesh, Janardhan, Sridhara,
Mori, Abhaysinh, M.
Karthikeyan 2017 Journal of Chemical Sciences 129 515-531
30.
Leukemia Cancer
Detection Using Image Analytics:(Comparative Study) Belhekar,
Akshay, Gagare, Kumar, Bedse, Ritesh, Bhelkar, Yugandhar, Rajeswari, K, M.
Karthikeyan, 2019 5th
International Conference On Computing, Communication, Control And Automation (ICCUBEA) 01-Jun
31.
Design of novel drug-like molecules using
informatics rich secondary metabolites analysis of Indian medicinal and
aromatic plants Karade, Divya,
Vijayasarathi, Durairaj,
Kadoo, Narendra, Renu Vyas, Ingle, PK, M. Karthikeyan, 2020 Combinatorial Chemistry & High
Throughput Screening 23 1113-1131
32.
Bibliometric analysis of named entity
recognition for chemoinformatics and biomedical
information extraction of ovarian cancer Khedkar, Vijayshri, Fernandes, Charlotte,
Desai, Devshi, Mansi, R, Chavan,
Gurunath, Tidke, Sonali Kothari, M. Karthikeyan, 2021 Lincoln: Library
Philosophy and Practice, University of Nebraska
01-Oct
33.
Generalized NRTL model for predicting vapor-liquid equilibrium data from activity coefficient of
binary component systems: using molecular descriptors Behhara,
Annishh, Badrinarayanan, Danush Sai Rudrapatti, Rahman,
Imran, M. Karthikeyan, 2022
ACMS 2022, April 14-16, 2022, IIChE, Kolkata
34.
A Review on Computational Analysis of Big Data
in Breast Cancer for Predicting Potential Biomarkers Shaikh, Nilofer, Bapat, Sanket, M.
Karthikeyan, Renu Vyas, 2022 Current topics in medicinal chemistry 22 1793-1810
35.
BESFA: bioinformatics based evolutionary,
structural & functional analysis of Prostate, Placenta, Ovary, Testis, and
Embryo (POTE) paralogs Qazi, Sahar, Jit, Bimal Prasad, Das, Abhishek,
M. Karthikeyan, Saxena,
Amit, Ray, MD, Singh, Angel Rajan, Raza, Khalid, Jayaram, B, Sharma, Ashok, 2022 Heliyon 8
36.
Fine-tuning ASR Model Performance on Indian
Regional Accents for Accurate Chemical Term Prediction in Audio Kothari, Sonali, Chiwhane, Shwetambari, Satya, Rithwik,
Ansari, Md Asad, Mehta, Shreeja, Naranatt, Pranav, M. Karthikeyan, 2023
International Journal of Intelligent Systems and Applications in
Engineering 11 485-494
37.
Cancer XAI: A Responsible Model for Explaining
Cancer Drug Prediction Models Kothari, Sonali, Patil,
Rutuja Rajendra, Sharma, Shivanandana, Kazi, Aqsa, D'Silva, Michela, Shejwal, Sanskruti, M. Karthikeyan, 2023
International Journal of Intelligent Systems and Applications in Engineering 11
472-484
38.
Web Scraping for Ovarian Cancer Detection:
Utilizing Open-Source Whisper AI for Identifying Relevant Terminology and
Improving Early Diagnosis Khedkar, Vijayshri, Bagane, Pooja,
Kothari, Sonali, Gupta, Anubha,
Singh, Utkarsh, Gupta, Sahil,
Agrawal, Tanya, M. Karthikeyan, 2023
International Journal of Intelligent Systems and Applications in Engineering 11
652-658
39.
Comprehensive molecular docking and dynamic
simulations for drug repurposing of clinical drugs against multiple cancer
kinase targets Shaikh, Nilofer, Linthoi,
RK, Swamy, KV, M.
Karthikeyan, Renu Vyas, 2023 Journal of Biomolecular Structure
and Dynamics 41 7735-7743
40. An explainable AI-assisted web application in cancer drug value prediction Kothari, Sonali, Sharma, Shivanandana, Shejwal, Sanskruti, Kazi, Aqsa, D'Silva, Michela, M. Karthikeyan, 2024 MethodsX 12 102696
List of selected
US Patents Granted
1. WO/2013/030850 M Karthikeyan,
CHEMICAL STRUCTURE RECOGNITION TOOL WO - 07.03.2013, Int.Class , G06F 19/00, Appl.No PCT/IN2012/000567
2. 20160140326 M Karthikeyan,
SIMULATED CARBON AND PROTON NMR CHEMICAL SHIFTS BASED BINARY FINGERPRINTS FOR
VIRTUAL SCREENING
3. 20210210173 M Karthikeyan,
METHOD FOR HARVESTING 3D CHEMICAL STRUCTURES FROM FILE FORMATS US - 08.07.2021 Int.Class G16C 20/80 Appl.No
16072097
4. 201611011757 M Karthikeyan,
REMOTE MONITORING AND CONTROLLING PHYSICAL PARAMETERS OF A MATERIAL UNDER TRANSPORTATION
IN - 02.02.2018 Int.Class G06Q 10/08 Appl.No 201611011757
5. 12.
3527/DEL/2015 M Karthikeyan, AN AUTOMATED REMOTE COMPUTING METHOD AND SYSTEM BY EMAIL PLATFORM
FOR MOLECULAR ANALYSIS IN - 05.05.2017 Int.Class G06F
19/20 Appl.No 3527/DEL/2015
6. METHOD FOR ENCODING AND DECODING LARGE SCALE MOLECULAR VIRTUAL LIBRARIES INTO A BARCODE
WO2016181412A2, US20180355514A1
Text Book: Practical M Karthikeyan, Chemoinformatics
Springer 2014 (ISBN: 978-81-322-1779-4)
http://www.springer.com/chemistry/book/978-81-322-1779-4
1.
Open-Source
Tools, Techniques, and Data in Chemoinformatics
Muthukumarasamy
Karthikeyan, Renu Vyas
Pages 1-92
2.
Chemoinformatics Approach for the Design and Screening of
Focused Virtual Libraries
Muthukumarasamy
Karthikeyan, Renu Vyas
Pages 93-131
3.
Machine
Learning Methods in Chemoinformatics for Drug
Discovery
Muthukumarasamy
Karthikeyan, Renu Vyas
Pages 133-194
4.
Docking
and Pharmacophore Modelling for Virtual Screening
Muthukumarasamy
Karthikeyan, Renu Vyas
Pages 195-269
5.
Active
Site-Directed Pose Prediction Programs for Efficient Filtering of Molecules
Muthukumarasamy
Karthikeyan, Renu Vyas
Pages 271-316
6.
Representation,
Fingerprinting, and Modelling of Chemical Reactions
Muthukumarasamy
Karthikeyan, Renu Vyas
Pages 317-374
7.
Predictive
Methods for Organic Spectral Data Simulation
Muthukumarasamy
Karthikeyan, Renu Vyas
Pages 375-414
8.
Chemical
Text Mining for Lead Discovery
Muthukumarasamy
Karthikeyan, Renu Vyas
Pages 415-449
9.
Integration
of Automated Workflow in Chemoinformatics for Drug
Discovery
Muthukumarasamy Karthikeyan,
Renu Vyas
Pages 451-499
10.
Cloud
Computing Infrastructure Development for Chemoinformatics
Muthukumarasamy
Karthikeyan, Renu Vyas
Pages 501-528
M Karthikeyan's Current Areas of research: Artificial
Intelligence: Pioneering Solutions Across Key Global Sectors
In the
rapidly evolving landscape of the 21st century, Artificial Intelligence (AI)
stands out as a beacon of innovation, heralding unprecedented advances across
an array of industries. By harnessing the potential of machine learning and
deep learning, AI delves deep into vast datasets, extracting insights and
catalyzing transformative solutions. Let's delve into the manifold advantages
of AI in reshaping crucial sectors:
1. Health: Personalized and Proactive Care
2. Agriculture: A Revolution in Farming
3. Finance: Streamlined Operations and
Enhanced Security
4. Materials: Accelerated Discovery and
Design
5. Sustainability: A Blueprint for a
Greener Future
6. Energy: Smart Grids and Sustainable
Solutions
7. Environment: Monitoring, Management,
and Mitigation
[click to view PCB] Open Source PCB for Education and research
Other research projects with
investigators (M Karthikeyan:):
|
S.No |
Name
of the project (Project Investigator) |
Name
of funding agency |
Date
of commencement |
Date
of completion |
|
1 |
Barcoding
Chemical Structure |
DSIR
New Delhi |
2002 |
2004 |
|
2 |
MolTable Portal |
DSIR
New Delhi |
2006 |
2008 |
|
3 |
Chemoinformatics Cloud Platform for design of new materials |
DST
New Delhi |
2009 |
2013 |
|
4 |
GENESIS (Chemoinformatics,
Drug Discovery) |
CSIR
New Delhi |
2012 |
2017 |
|
5 |
INSPIRE (Chemoinformatics, Reaction Modeling) |
CSIR
New Delhi |
2012 |
2017 |
|
6 |
Chemoinformatics portal
for HEM (PI) |
DRDO |
2016 |
2019 |
|
7 |
CSIR Computer Cure Cancer AI (PI) |
CSIR
New Delhi |
2018 |
2020 |
|
8 |
CSIR SAGITA for Precision Agriculture (PI) |
CSIR
New Delhi |
2019 |
2020 |