Muthukumarasamy Karthikeyan , Ph.D., 

 

[LinkedIn] [LinkedIn Presentations] [Wikipedia] [Google Scholar] [Academic Site (CSIR-NCL)] [Official CSIR-NCL] [Download Resume (pdf format)]

 

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 

 


Global Awards:
A winner of 1) Innocentive global award (Stanford University Law School) for the year 2015

 





2) WAZOKU global award for the year 2023 for solving problems related to BIG DATA multidimensional data analysis.

 

3) WAZOKU global award Winner (Angilini Pharma) for the year 2024 on Novel target identification for EPILEPSY using digital approaches

 

Academic Qualification / Fellowships (Overseas): 

Sl

Degree 

Yearhttps://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image001.png 

Subjecthttps://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image001.png 

University/Institute 

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image001.png1 

B.Sc . Chemistry

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image001.png1989 

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image001.pngB.Sc Chemistry,
(First Class)
 

Tagore Arts College 
Pondicherry University

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image001.png2 

M.Sc. Chemistry

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image001.png1991 

MSc Chemistry 

(First Class)

Center for PG Studies 
Pondicherry University
 

3 

Ph.D. Chemistry
(1992-97)

1998 

Organic Chemistry 
(Synthesis)

Pune University
CSIR-JRF (CSIR-NCL Pune)
 

4 

DST BOYSCAST Fellow

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image002.png2003-4 

Chemoinformatics 

University of Northcarolina, Chapel Hill, NC, USA

5 

DBT Overseas Associate 

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image002.png2007-8 

Chemoinformatics 

University of Northcarolina, Chapel Hill, NC, USA

6 

M.Sc. Computer Science

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image002.png2012-14 

Computer Science (First Class) 

Anna University, MIT Campus, Chennai 

7 

PG Diploma (MBA) 

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image002.png2011-14 

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 (CPC Level)

Name of the Institute 

https://karthincl.neocities.org/karthikeyan%20CURRICULUM%20VITAE_files/image002.png 

From 

To 

1 

Scientist B (L-10)

DRDO-ARDE Pune

18-Mar-1998 

12-Apr-2000 

2 

Scientist C (Scientist)   (L-11)

CSIR-NCL, Pune 

13-Apr-2000 

12-Apr-2005 

3 

Scientist E1 (Senior Scientist) (L-12)

CSIR-NCL, Pune 

13-Apr-2005 

12-Apr-2010 

4 

Scientist E2 (Pr. Scientist)   (L-13)

CSIR-NCL, Pune 

13-Apr-2010 

12-Apr-2016 

5 

Scientist F (Sr Pr Scientist)  (L-13A)

CSIR-NCL, Pune 

13-Apr-2016 

12-Apr-2021 

6 

Scientist G/Chief Scientist (L-14)

CSIR-NCL, Pune 

13th April 2021 

Till date 

 


Mission to Teach IoCT, Chemoinformatics, AI, Tutorials to Lakhs Indian Students (Pl contact: 9th-12th grades )

 

 


 

Number of PhD Students Guided: 2 (Degree Awarded)

Number of PhD Students (current) 2

Number of Masters Level students and Intenships guided: 18

Number of Bachelor's Degree Students Guided: 32


Areas of research: 

Dr M Karthikeyan Research Experience includes Synthetic Organic Chemistry: Multi-step organic synthesis, Carboannulation, Spiro cyclization, chemoinformatics, bioinformatics, artificial intelligence, robotics, Internet of chemical things etc. Computer Programming in C, C++, Java, Python, Machine Learning, High performance computing, Cuda programming, Remote Computing, Cloud Computing, Distributed/Parallel Computing, Image Processing, Big data analytics, Electronic Notebooks (Open source, commercial, Molecular Modeling, Drug Design, Virtual Screen, Polymer Properties Prediction, Design of Novel and Functional materials for strategic sectors using Big Data and Artificial Intelligence (certified LLM Model developer with specialized skills in fine tuning large language models with 80B+ tokens) [click]ApnaGPT Building and programming Humanoids for chemical environments [click]

 

National and International Fellowships:

1) Qualified CSIR-NET Exam (June 1991 CSIR JRF) PhD Scholar (1992-1997)

2) Qualified GATE-91 (PhD Candidate Qualified @ IIT-Chennai 1991)

 

3) BOYSCAST Fellowship 2003-04 DST-New Delhi (UNC-Chapel Hill, USA)

4) DBT Overseas Associate 2007-08 DBT-New Delhi (UNC-Chapel Hill, USA)

 

Awards: 

He is a recipient of several prestegious National Awards , International Fellowships and recognitions:  
1) ICCS - 4 Conference (Chemical Structure Association Trust) Student Bursary Award
for the development and presentation of "Interactive Chemical Information System", [click] ICIS (c) 1995 Copyright (CSIR-National Chemical Laboratory) and
2) Commendation Certificate
 by Defence Research and Development Organization (DRDO), New Delhi, 26 Jan 1999  
3) DST BOYSCAST
 Award (April 2003- March 2004) for Vising Scientist at The School of Pharmacy University of Northcarolina, Chapel Hill, USA contributed in the area of ML, QSAR for anticancer drug design.
4) A recipient of DBT Overseas Associate Award Visiting Scientist (April 2007- March 2008) at The School of Pharmacy University of Northcarolina, Chapel Hill, USA .
 

Other research projects (Artificial Intelligence in Molecular Informatics) as Project Investigator (M Karthikeyan)

 

S.No 

Name of the project (Project Investigator) 

 

Name of funding agency 

Date of commencement 

Date of completion 

1 

Barcoding Chemical Structure (Chemoinformatics)

DSIR New Delhi 

2002 

2004 

2 

MolTable Portal (Chemoinformatics)

DSIR New Delhi 

2006 

2008 

3 

Building Cloud Platform for design of new materials

DST New Delhi 

2009 

2013 

4 

GENESIS (Chemoinformatics, ML, Drug Discovery)

CSIR New Delhi 

2012 

2017 

5 

INSPIRE (Chemoinformatics, ML, Reaction Modeling) 

CSIR New Delhi 

2012 

2017 

6 

Chemoinformatics portal for High energy materials

DRDO New Delhi

2016 

2019 

7 

CSIR Mission Project on Computer Cure Cancer CCCTK [click]

CSIR New Delhi 

2018 

2020 

8 

CSIR SAGITA for Precision Agriculture

CSIR New Delhi 

2019 

2020 

 

Industry collaboration/Projects on Chemoinformatics/Ioct : 1) Jubilant Biosys Bangalore (2003-05) 2. Aurigene Oncology Bangalore (2023-24) 3) IoBIT solutions (2025)

Current Research (2025-28): Artificial Intelligence in Chemical Research, Internet of Chemical Things (IoCT), Humanoids for Chemical Risk Environment (I4.0, Digital Twins)


Our mission is to democratize knowledge in Robotics, Internet of Things (IoT), Internet of Chemically-enabled Things (IoCT), Artificial Intelligence, and applications in Health, Agriculture, Environment. The world is rapidly evolving, and so are the job opportunities. Learning about the Internet of Things (IoT) and Artificial Intelligence (AI can give you an edge in the job market. With the increasing demand for professionals in these fields, having knowledge and skills in IoT can open up new and exciting career opportunities.






 

List of Selected Publications

Transcriptome analyses reveal TaWRKY41 as a potential candidate governing spot blotch resistance in wheat

BR Dayama, VA Mahadik, D Somani, BA Shinde, KR Kondhare, ...Physiology and Molecular Biology of Plants 31 (4), 591-6083

2025

 

An explainable AI-assisted web application in cancer drug value prediction

S Kothari, S Sharma, S Shejwal, A Kazi, M D'Silva, M Karthikeyan

MethodsX 12, 102696

12

2024

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

22

2023

Machine Learning Approaches for Identification of Potential Biomarkers from Cancer Omics Data

N Shaikh, S Bapat, M Karthikeyan, R Vyas

2023

Method for harvesting 3D chemical structures from file formats

M Karthikeyan, R Vyas

US Patent 11,456,061

2022

BESFA: bioinformatics based evolutionary, structural & functional analysis of Prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs

S Qazi, BP Jit, A Das, M Karthikeyan, A Saxena, MD Ray, AR Singh, ...

Heliyon 8 (9)

9

2022

A review on computational analysis of big data in breast cancer for predicting potential biomarkers

N Shaikh, S Bapat, M Karthikeyan, R Vyas

Current topics in medicinal chemistry 22 (21), 1793-1810

10

2022

Generalized NRTL model for predicting vapor-liquid equilibrium data from activity coefficient of binary component systems: using molecular descriptors

A Behhara, DSR Badrinarayanan, I Rahman

IIChE-CHEMCON

2022

Bibliometric analysis of named entity recognition for chemoinformatics and biomedical information extraction of ovarian cancer

V Khedkar, C Fernandes, D Desai, R Mansi, G Chavan, SK Tidke

Lincoln: Library Philosophy and Practice, University of Nebraska, 1-10

2

2021

Design of novel drug-like molecules using informatics rich secondary metabolites analysis of Indian medicinal and aromatic plants

D Karade, D Vijayasarathi, N Kadoo, R Vyas, PK Ingle, M Karthikeyan

Combinatorial Chemistry & High Throughput Screening 23 (10), 1113-1131

7

2020

Remote monitoring and controlling physical parameters of a material under transportation

M Karthikeyan, R Vyas

US Patent 10,628,720

18

2020

Leukemia cancer detection using image analytics:(comparative study)

A Belhekar, K Gagare, R Bedse, Y Bhelkar, K Rajeswari, M Karthikeyan

2019 5th International Conference On Computing, Communication, Control And …

9

2019

Synthesis, Biological Evaluation and Molecular Modeling Studies of Novel Chromone/Aza-Chromone Fused α-Aminophosphonates as Src Kinase Inhibitors

S Bapat, N Viswanadh, M Mujahid, AN Shirazi, R Tiwari, K Parang, ...

6

2019

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 (5), 515-531

26

2017

Pharmacophore and docking based virtual screening of validated Mycobacterium tuberculosis targets

R Vyas, M Karthikeyan, G Nainaru, M Muthukrishnan

Combinatorial Chemistry & High Throughput Screening 18 (7), 624-637

5

2015

Role of chemical reactivity and transition state modeling for virtual screening

M Karthikeyan, R Vyas, S S Tambe, D Radhamohan, B D Kulkarni

Combinatorial Chemistry & High Throughput Screening 18 (7), 638-657

1

2015

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

17

2015

Protein Ligand Complex Guided Approach for Virtual Screening

M Karthikeyan, D Pandit, R Vyas

Combinatorial Chemistry & High Throughput Screening 18 (6), 577-590

2015

Editorial (Thematic Issue: Design and Development of New Chemoinformatics Tools for Virtual Screening)

M Karthikeyan, R Vyas

Combinatorial Chemistry & High Throughput Screening 18 (6), 526-527

2015

Design and Development of ChemInfoCloud: An integrated Cloud enabled platform for virtual screening

M Karthikeyan, D Pandit, A Bhavasar, R Vyas

Combinatorial Chemistry & High Throughput Screening 18 (6), 604-619

3

2015

Prediction of Bioactive Compounds Using Computed NMR Chemical Shifts

M Karthikeyan, P Ramanpillai Rajamohanan, R Vyas

Combinatorial Chemistry & High Throughput Screening 18 (6), 562-576

1

2015

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

17

2015

MegaMiner: a tool for lead identification through text mining using chemoinformatics tools and cloud computing environment

M Karthikeyan, Y Pandit, D Pandit, R Vyas

Combinatorial Chemistry & High Throughput Screening 18 (6), 591-603

7

2015

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

16

2015

Year of Publication: 2015

K Bhowmik, T Aher, V Kale, K Rajeswari, M Karthikeyan

2015

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

42

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)

17*

2014

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

7

2014

chemical structure recognition tool

M Karthikeyan

US Patent US 2014/0301608 A1 (http://patentimages.storage.googleapis.com …

14

2014

ChemInfoCloud: Opensource based Cloud compatible chemical textmining tools for harvesting largescale medical literature

M Karthikeyan

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248

2014

Active Site-Directed Pose Prediction Programs for Efficient Filtering of Molecules

M Karthikeyan, R Vyas

Practical Chemoinformatics, 271-316

1

2014

Chemical text mining for lead discovery

M Karthikeyan, R Vyas

Practical chemoinformatics, 415-449

2

2014

Cloud computing infrastructure development for chemoinformatics

M Karthikeyan, R Vyas

Practical Chemoinformatics, 501-528

5

2014

Representation, fingerprinting, and modelling of chemical reactions

M Karthikeyan, R Vyas

Practical Chemoinformatics, 317-374

2

2014

Predictive Methods for Organic Spectral Data Simulation

M Karthikeyan, R Vyas

Practical Chemoinformatics, 375-414

2014

Docking and Pharmacophore Modelling for Virtual Screening

M Karthikeyan, R Vyas

Practical Chemoinformatics, 195-269

1

2014

Integration of automated workflow in chemoinformatics for drug discovery

M Karthikeyan, R Vyas

Practical Chemoinformatics, 451-499

1

2014

Machine Learning Methods in Chemoinformatics for Drug Discovery

M Karthikeyan, R Vyas

Practical Chemoinformatics 1, 133-194

25

2014

Chemoinformatics Approach for the Design and Screening of Focused Virtual Libraries

M Karthikeyan, R Vyas

Practical Chemoinformatics 1, 93-131

7

2014

Open-Source Tools, Techniques, and Data in Chemoinformatics

M Karthikeyan, R Vyas

Practical Chemoinformatics, 1-92

10

2014

Practical chemoinformatics

M Karthikeyan, R Vyas

Springer

47

2014

Chemical Structure Representations and Applications in Computational Toxicity

M Karthikeyan, R Vyas

Computational Toxicology: Volume I, 167-192

4

2012

ChemTextMiner: An open source tool kit for mining medical literature abstracts

E Jain, M Karthikeyan, Y Pandit, D Pandit, G Nainaru, S Nalwade, R Vyas

Nature Precedings, 1-1

2012

ChemTextMiner: An open source tool kit for mining medical literature abstracts

M Karthikeyan, Y Pandit, D Pandit, G Nainaru, S Nalwade, R Vyas, E Jain

Nature Publishing Group

2011

Computer Vision based chemical information extraction from digital images and streaming videos

M Karthikeyan

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242

2011

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

18

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

17

2006

Encoding and decoding of graphical chemical structure as commercial barcodes

M Karthikeyan

GAP; 224026

2005

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

30

2005

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

189

2005

Encoding and Decoding of chemical structures as Commercial Barcodes

M Karthikeyan, S Krishnan

Accepted for publication

2005

PharmTree 2.1

M Karthikeyan

Journal of Chemical Information and Computer Sciences 43 (6), 2194-2195

2003

YChemoinformatics tools for combinatorial chemistry

M Karthikeyan

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 225, U558-U558

2003

Compressed chemical markup language (CCML) for compact storage and inventory applications

M Karthikeyan, D Uzagare, S Krishnan

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 225, U554-U554

4

2003

Searching Video Segments through Transcript, Metadata, and SVG Objects

M Karthikeyan, D Uzagare, S Krishnan, M Yang, G Marchionini

International Conference on Asian Digital Libraries, 528-528

2002

Text-based chemical information locator from the internet using commercial barcodes

M Karthikeyan, S Krishnan, C Steinbeck

Abstracts of Papers of the American Chemical Society 223, 72-CINF

1

2002

Chemoinformatics: a tool for modern drug discovery

M Karthikeyan, S Krishnan

International journal of information technology and management 1 (1), 69-82

13

2002

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

42

2002

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

46

1998

Photoinduced electron transfer (PET) promoted carboannulation strategy: arene radical cation in carbon-carbon bond formation reaction

M Karthikeyan

CSIR-National Chemical Laboratory, Pune

1998

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

34

1993

Feasibility Study on Utilization of Marine Sand in making Concrete

M Karthikeyan, EK Reddy

Novel construction of the benzazocine framework through photoinduced electron transfer (PET) generated arene radical cation

G Pandey, M Karthikeyan

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 

US9558403B2, WO2013030850A2 

2.       20160140326 M Karthikeyan, SIMULATED CARBON AND PROTON NMR CHEMICAL SHIFTS BASED BINARY FINGERPRINTS FOR VIRTUAL SCREENING 

EP3014504B1, US10216910B2 

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 

US20210210173A1: 

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 

US10628720B2, WO2017175243A1: 

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 

US10467068B2 

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 

 

Today Artificial Intelligence (AI) is the key to innovation, 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 

Internet of Chemical Things, AI, Bigdata, Tutorials, Crypto etc

 

 

 

About Dr M.Karthikeyan: (What Claude AI thinks!)
Dr. Muthukumarasamy Karthikeyan is a Chief Scientist in Chemical Engineering and Process Development at CSIR-National Chemical Laboratory, Pune. His academic background spans organic chemistry (Ph.D. from Pune University), computer science (M.Sc. from Anna University), and business (MBA from IGNOU), complemented by research fellowships at the University of North Carolina, Chapel Hill. His work bridges synthetic organic chemistry with cutting-edge digital technologies — including chemoinformatics, AI, machine learning, big data analytics, cloud computing, and the Internet of Chemical Things (IoCT). He has received multiple prestigious honors, including a 2015 InnoCentive Global Award from Stanford University Law School and two WAZOKU Global Awards (2023 and 2024) for solving challenges in big data analysis and epilepsy drug target identification. As a researcher, he holds six US patents, has co-authored a Springer textbook on practical chemoinformatics, and has published over 40 papers spanning drug discovery, virtual screening, and AI-driven molecular modeling. He is currently focused on applying AI and humanoid robotics to chemical research, and is working to influence multi-disciplinary education in Chemistry, Biology, Medicine applying IoT, AI, and IoCT for students across India.


About Dr M.Karthikeyan: (What Grok AI thinks!)
Dr. Muthukumarasamy Karthikeyan, Chief Scientist at the CSIR-National Chemical Laboratory (CSIR-NCL) in Pune. A distinguished researcher with over three decades of experience, Dr. Karthikeyan is a pioneer at the intersection of synthetic organic chemistry, chemoinformatics, artificial intelligence, robotics, and the Internet of Chemical Things (IoCT). He holds a Ph.D. in Organic Chemistry from Pune University and an additional M.Sc. in Computer Science, blending deep domain expertise with advanced computational skills. He is the author of the widely acclaimed textbook Practical Chemoinformatics (Springer, 2014) and holds multiple international patents in chemical structure recognition, virtual screening, and remote monitoring technologies. His groundbreaking work has earned global recognition, including the Innocentive Award (2015) and two WAZOKU global awards (2023 and 2024) for innovations in big data analysis and AI-driven target identification for epilepsy. Dr. Karthikeyan is deeply passionate about democratizing knowledge in AI, IoT, and IoCT, with a strong commitment to open education, precision agriculture, healthcare, and developing humanoids for chemical environments.