Supratik Kar, Ph.D.

• Ph. D., Pharmacy, Jadavpur University 
• M.S., Pharmacy, Jadavpur University (Valedictorian)
• B.S., Pharmacy, Jadavpur University (Valedictorian) 
• European Union Marie-Curie Research Fellow  

• Bioinformatics (BIO2910)
• Biochemistry Lab (BCHM-4115L)
• Organic Chemistry (CHEM 2581)
• Medicinal Chemistry (CHEM4190)
• Medicinal Chemistry (STME 5625)
• Independent Chemistry Research I (CHEM 3901)
• Independent Chemistry Research II (CHEM 3902)
• Senior Honors Research (CHEM 4905)

Dr. Kar works in the field of Medicinal Chemistry incorporating Chemometrics and cheminformatics models and machine learning techniques in different aspects of Computer Aided Drug Designing (CADD), Risk assessment, and Toxicity modeling of chemicals and drugs.

Dr. Kar is listed in the "Top 2% Scientists in the World for single year category” four times for the years 2020, 2022, 2023 and 2024 considering all research fields published by scientists from Stanford University in Elsevier in the years 2021, 2023, 2024 and 2025, respectively. DOI: https://elsevier.digitalcommonsdata.com/datasets/btchxktzyw/6. Ranked in the “Top 2% Scientists for Career-Long Category” in 2023, Published in 2024 DOI: https://elsevier.digitalcommonsdata.com/datasets/btchxktzyw/7. As per ScholaGPS, he is ranked in the Top 0.5% of scholars in the world considering all subjects based on the productivity, quality, and impact of his research for the year 2024 and 2025.

Dr. Kar has published 120+ peer-reviewed research and reviews articles in Chemical Reviews, Nature Scientific Report, Green Chemistry, Expert Opinion in Drug Discovery, Expert Opinion on Drug Safety, Nano Energy, Nanoscale, Nature Computational Materials, Journal of Hazardous Materials, Chemosphere, Toxicology In Vitro, ACS Omega, Journal of Chemical Information Modeling, etc. and multiple book chapters in Springer, Willey, Elsevier etc. He has also co-authored two highly cited and popular QSAR related books:

• Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment, (Elsevier), https://shop.elsevier.com/books/understanding-the-basics-of-qsar-for-applications-in-pharmaceutical-sciences-and-risk-assessment/roy/978-0-12-801505-6
• A Primer on QSAR/QSPR Modeling: Fundamental Concepts, (Springer). https://link.springer.com/book/10.1007/978-3-319-17281-1

He has also edited the following three Springer books:

• Handbook of Chem‑ and Bioinformatics. Editor‑in‑Chief: J. Leszczynski. Section Editors: S. Kar, K. Roy, A. Gieldon, C. Gopimohan, S. Chen. Springer, 2026
• Current Trends in Computational Modeling for Drug Discovery. S. Kar, J. Leszczynski. (Springer), 2023
• Development of Solar Cells – Theory and Experiment. J. K. Roy, S. Kar, J. Leszczynski. (Springer), 2020

He has also published 29 book chapters to date. As per Google Scholar, he has an H-index of 49 with total citations of 9700+.

He serves as an associate editor for Molecular Diversity (Springer), Frontiers in Pharmacology (Frontiers), and IJQSPR (IGI-Global). He is serving as an Editorial Board member of the Journal of Clinical Medicine (MDPI), Current Drug Metabolism (Bentham), Pharmacogenomics Research and Personalized Medicine (AME), and IJANR (IGI-Global). He is also a reviewer board member for Polymers (MDPI) and Informatics and Computational Methods [Frontiers in Natural Products] (Frontiers). Dr. Kar worked as a reviewer and an editor for 80+ reputed peer-reviewed journals. 

• SKA Amin, S. Kar*, KidneyTox_v1: A Machine Learning-based Tool for Predicting Nephrotoxicity of Molecule. Nature Scientific Reports, 2026, 16, 5099. https://www.nature.com/articles/s41598-026-35496-4
• A. Banerjee, S. Kar, K. Roy, G. Patlewicz, I. Shah, P.G. Karamertzanis, G. Gini, E. Benfenati. From feature-based chemical similarity to chemical language models - A paradigm shift in computer-aided molecular design and property predictions. WIRES Computational Molecular Science, 2025, 15(6), e70057. https://doi.org/10.1002/wcms.70057
• L. Li, S. Kar*, Integrative QSAR and q-RASAR Modeling for Danio rerio Toxicity: Comparative Evaluation of 2-, 3-, and 4-Hour Exposures with Mechanistic Insights and Data Gap Filling. Journal of Hazardous Materials, 2025, 497, 139710. https://doi.org/10.1016/j.jhazmat.2025.139710
• S. Kar*, SKA Amin, L. Li, Unveiling Chemical Space, Scaffold Diversity, Critical Structural Features of Pesticides: A Comprehensive QSTR, qRASTR, Machine Learning Studies to Predict Pesticides Toxicity. Science of the Total Environment, 2025, 1001, 180489. https://doi.org/10.1016/j.scitotenv.2025.180489
• A. Bhattacharjee, S. Kar*, P.K. Ojha, Targeting G protein-coupled inwardly rectifying potassium channel 4 (GIRK4) in atrial fibrillation leveraging chemometrics, extended membrane-bound simulation-inspired conformational dynamics and ion trafficking for inverse agonist development. International Journal of Biological Macromolecules, 2025, 327, 147062. https://www.sciencedirect.com/science/article/pii/S0141813025076196
• L. Li, S. Kar*, Leveraging Network Pharmacology for Drug Discovery: Integrative Approaches and Emerging Insights network pharmacology. Medicine in Drug Discovery, 2025, 27, 100220. https://doi.org/10.1016/j.medidd.2025.100220
• A. Biswas, A. Bhattacharjee, S. Kar, P. K. Ojha, Chemometric Modeling, Inverse Docking, and Molecular Simulations-Driven Design for Multi-Layered Prioritization of Novel Leishmanicidal Agents Based on a 2-Aminobenzimidazole Scaffold. Molecular Diversity, 2025, https://doi.org/10.1007/s11030-025-11228-0
• D. Shah, D. Shah, S. Ndandji, S. Kar. Investigating the Development of Lazertinib: A Novel EGFR-TKI Therapy for Non-Small Cell Lung Cancer. Expert Opinion On Drug Metabolism and Toxicology, 2025, 21, 789-800. https://doi.org/10.1080/17425255.2025.2507404
• A. Bhattacharjee, A. Kumar, P.K. Ojha, S. Kar*. Artificial Intelligence to Predict inhibitors of Drug Metabolizing Enzymes and Transporters for Safer Drug Design. Expert opinion on Drug Discovery, 2025, https://doi.org/10.1080/17460441.2025.2491669
• SKA Amin, S. Kar*, S. Piotto. pDILI_v1: A Web-Based Machine Learning Tool for Predicting Drug-Induced Liver Injury (DILI) Integrating Chemical Space Analysis and Molecular Fingerprints. ACS Omega, 2025, 10 (13), 13502-13514. https://doi.org/10.1021/acsomega.5c00075
• A. Bhattacharjee, S. Kar*, P. K. Ojha, Ligand-Based Cheminformatics and Free Energy Inspired Molecular Simulations for Prioritizing and Optimizing G-Protein Coupled Receptor Kinase-6 Inhibitors in Multiple Myeloma. Computational Biology and Chemistry, 2025, 115, 108347. https://doi.org/10.1016/j.compbiolchem.2025.108347
• M. Nunez, S. Kar*, K. A. Rodriguez, D. Ondieki. Unraveling Ritlecitinib: An In-Depth Analysis of JAK3 Inhibitor for the Treatment of Alopecia Areata. Expert Opinion on Drug Metabolism and Toxicology. 2024, 20, 1023-1036. https://www.tandfonline.com/doi/full/10.1080/17425255.2024.2401603
• S. Kar*, Andrea Gallagher. In silico Modeling of Aquatic Toxicity of Organic Chemicals to Three Trout Species O. Clarkii, S. Namaycush, and S. Fontinalis: An Environmental Toxicity Data Gap Filling Study. Journal of Hazardous Materials. 2024, 136060.
• S. Kar*, S. Yang, Introducing Third-Generation Periodic Table Descriptors To Encode Zebrafish Toxicity of Metal Oxide Nanoparticles: A Nano-qRASTR Study. Beilstein Journal of Nanotechnology, 2024, 15, 1142-1152.
• S. Yang, S. Kar*, How Safe Are Wild-Caught Salmons Exposed to Various Industrial Chemicals? First Ever In Silico Models for Salmon Toxicity Data Gaps Filling. Journal of Hazardous Materials. 2024, 477, 135401.
• A. Banerjee, S. Kar, K. Roy, G. Patlewicz, N. Charest, E. Benfenati, M.T.D. Cronin. Molecular Similarity in Chemical Informatics and Predictive Toxicity Modeling: From Quantitative Read-across (q-RA) to Quantitative Read-Across Structure-Activity Relationship (q-RASAR) with the Application of Machine Learning. Critical Reviews in Toxicology, 2024,
• A. Bhattacharjee, S. Kar, P. K. Ojha, Unveiling G Protein-Coupled Receptor Kinase 5 Inhibitors for Chronic Degenerative Diseases: Virtual Screening Employing Machine Learning-Driven Chemometric Modeling and Molecular Simulation. International Journal of Biological Macromolecules, 2024, 269, 131784.
• S. Yang, S. Kar*, Protracted Molecular Dynamics and Secondary Structure Introspection to Identify Dual-Target Inhibitors of Nipah Virus Exerting Approved Small Molecules Repurposing. Nature Scientific Reports, 2024, 14, 3696.
• A. Gallagher, S. Kar*, Unveiling first report on in silico modeling of aquatic toxicity of organic chemicals to Labeo rohita (Rohu) employing QSAR and q-RASAR. Chemosphere, 2024, 349, 140810.
• S. Das; A. Samal; A. Kumar; V. Ghosh; S. Kar, P. K. Ojha, Comprehensive Ecotoxicological Assessment of Pesticides on Multiple Avian Species: Employing Quantitative Structure-Toxicity Relationship (QSTR) Modeling and Read-Across. Process Safety and Environmental Protection, 2024, 188, 39-52.
• A. Bhattacharjee, S. Kar, P. K. Ojha, First Report on Chemometrics-Driven Multilayered Lead Prioritization in Addressing Oxysterol-Mediated Overexpression of G-protein coupled receptor 183. Molecular Diversity, 2024. (In press),
• D.B. Grajales, S. Kar*. Exploring Monkeypox: From Genomic Insights to Prospective Targeted Therapies Updates. Molecular Diversity, 2024,
• S. Yang, S. Kar*, First Report on Chemometric Modeling of Tilapia Fish Aquatic Toxicity to Organic Chemicals: Risk Assessment & Toxicity Data Gap Filling. Science of the Total Environment, 2024, 910, 167991. 

To view the complete list of publications, please visit the following:

Google Scholar ; ORCID ; Scopus

To view the editorial and review activity, please visit the following :

Web of Science 

• Receive USDA NIFA (Grant # 2026-67039-45932) – Collaborative Research: RUI: Identifying Mechanisms of Insect Repellence in Polypore Fungi (with Dr. Maria Shumskaya). Awarded $200,000. February 1, 2026 – January 31, 2029.
• Received NSF (Award #2447179) – Collaborative Research: RUI: Identifying Mechanisms of Insect Repellence in Polypore Fungi (with Dr. Maria Shumskaya). Awarded $455,029. September 1, 2025 – August 31, 2028.
• Received Full time GRA for the year 2024-2025, and 2025-2026.
• Student Partnering Faculty (SPF) grant from Kean University for the year 2025-26, funded amount $12.5K
• USEPA (Federal) fund received in Collaboration with Purdue University, Indiana (a R1 institute). Subaward No. 16200050-034 (PTE Federal award No. 84045601). Title: “Protein Binding Affinity as the Driver for Studying PFAS Mixture Toxicity”. Project duration: 09-01-2022 to 08-31-2025. Total funds granted: $725K. I received: $166,224 (Direct funding: $115,440, Indirect funding: $50,784)
• Student Partnering Faculty (SPF) grant from Kean University for the year 2024-25, funded amount $12.5K
• Received around $1000 from the Dean’s office of Kean University as additional funds for performing research in the year 2024.
• Received around $1500 from the Dean’s office of Kean University as additional funds for performing research in the year 2023.
• Seed fund for around $20K from the Dean’s office of Kean University in the year 2022.

• Top 1% of reviewers in Cross-Field (Multidisciplinary subject) in the Global Peer Review Awards, powered by Publons during the year 2018-19.
• Top 1% of reviewers in Pharmacology and Toxicology in the Global Peer Review Awards, powered by Publons during the year 2018-19.
• "Top 2% Scientists in the World for Authors_singleyr_2020" considering all research fields published as per August 2021 data-update for "Updated science-wide author databases of standardized citation indicators"”, Mendeley Data, V3, DOI: 10.17632/btchxktzyw.3. Link
• Shortlisted in Young Researcher Award Lush Prize for 2022. Link
• Received RTR (6 TCH release time for research) from KEAN University for the year 2022-23, 2023-2024, 2024-2025, 2025-2026.
• “Top 2% Scientists in the World for Authors_singleyr_2022" considering all research fields published as per August 2023 data-update for "Updated science-wide author databases of standardized citation indicators"”, Mendeley Data, V6, DOI: 10.17632/btchxktzyw.6.
• ‘Top 0.5% of all scholars worldwide’ considering all research fields considering the last 5 years of work for the year 2024 and 2025 as per ScholarGPS
• “Top 2% Scientists in the World for Authors_singleyr_2023" considering all research fields published as per September 2024 data-update for "Updated science-wide author databases of standardized citation indicators", Mendeley Data, V7, DOI: 10.17632/btchxktzyw.7
• “Top 2% Scientists in the World for Autors_career_2023" considering all research fields published as per September 2024 data-update for "Updated science-wide author databases of standardized citation indicators"”, Mendeley Data, V7, DOI: 10.17632/btchxktzyw.7
• ‘Presidential Excellence Award 2024’ for "Scholarship, Research, and Creative Work" from Kean University.
• Induction in ‘Phi Kappa Phi’, the nation’s oldest and most selective all-discipline honor society, as Faculty member, April 2025.
• Contribution Award – Molecular Diversity, Presented by Springer Nature, May 2025.
• Author Service Award – Molecular Diversity, Presented by Springer Nature, May 2025.
• ‘Excellence in Research Award, 2025’ in ‘Basic Science’ by Office of Research Sponsored Program (ORPS), Kean University, May 9, 2025.
• “Top 2% Scientists in the World for Autors_singleyr_2024" considering all research fields published as per September 2025 data-update for "Updated science-wide author databases of standardized citation indicators"”, Mendeley Data, V8, DOI: 10.17632/btchxktzyw.8