Drug Theoretics and Cheminformatics (DTC) Laboratory, Department of Pharmaceutical Technology. Jadavpur University, India is involved in computational research for developing predictive models using Quantitative Structure-Activity/Property/Toxicity Relationship (QSAR/QSPR/QSTR) and Read-across approaches with application in Drug Design, Predictive Toxicology, and Materials Science. [Profile information updated on 04 May 2025]
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PDRA/PhD Scholars
PDRA/PhD Scholars
Vinay Kumar, ICMR RA
Vinay Kumar, ICMR RA
Vinay Kumar (SCOPUS; ORCID) completed his B. Pharmacy (2015) from Dr. APJ Abdul Kalam Technical University, Lucknow (UP), M.S. in Pharmacy (2017) degree from NIPER, Kolkata (WB), and Ph.D. (Pharmacy) (2023) from Jadavpur University, Kolkata (WB). He qualified for the Graduate Pharmacy Aptitude Test in 2015. He has been awarded SRF from DAE-BRNS (2018) and ICMR (2019), and also received a Research Associateship from ICMR (2022). He has experience in QSAR, Chemometric modelling studies, Protein-Protein interaction network analysis, Molecular Modelling, and Computer Aided Drug Design for almost six and a half years with special reference to developing novel inhibitors against Neurodegenerative Disorders. He has published 33 Research and review articles and 4 Book chapters in various peer-reviewed journals. He has showcased his research at various national and international conferences, earning recognition and support from esteemed organizations. Notably, he received international travel grants from prominent funding agencies, including the Heidelberg Institute for Theoretical Studies (HITS) in Germany, where he was awarded a bursary, as well as from the Department of Biotechnology (DBT), the Science and Engineering Research Board (SERB), and the Council of Scientific & Industrial Research (CSIR) in India to facilitate his participation in conferences worldwide. He also serves as a peer reviewer for several scientific journals. At present, he is actively working as a Research Associate (RA)-ICMR in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata (WB).
Arkaprava Banerjee, LSRB DRDO Fellow
Arkaprava Banerjee, LSRB DRDO Fellow
Arkaprava Banerjee (ORCID; SCOPUS; LinkedIn) is a Researcher (funded by the Life Sciences Research Board, DRDO, Govt. of India) working at the Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata. Mr. Banerjee has twenty eight research articles published in reputed journals and three book chapters with overall citations 623 and an h-index of 13 (Scopus). His ORCID identifier is 0000-0001-8468-0784, His expertise lies in the similarity-based cheminformatic approaches like Read-Across and Read-Across Structure-Activity Relationship (RASAR) – a novel method that combines the concept of QSAR and Read-Across. Mr. Banerjee is also a Java programmer, who has developed various cheminformatic tools based on QSAR, Read-Across and RASAR, and the tools are freely available from the DTC Laboratory Supplementary Website. He received Prof. Anupam Sengupta Bronze medal from Jadavpur University for securing the highest marks in Pharmaceutical Chemistry in MPharm Examination. He has also received a special diploma awarded by the Institute of Biomedical Chemistry, Moscow, Russia. He received an International Travel Grant from ASCCT, USA for attending QSAR2023 conference in Copenhagen, Denmark. Together with Prof. Kunal Roy, he has been one of the first researchers to develop quantitative models using similarity and error-based descriptors (quantitative/classification Read-Across Structure-Activity Relationship: q-RASAR/c-RASAR models) with applications in drug design, materials science, and property modeling. He has coauthored one SpringerBrief on q-RASAR and coedited three volumes of Materials Informatics (Springer).
He is a FIDE-rated chess player with an ELO rating 1592, and he stood 5th in the Howrah District Chess Championship 2020.
Sapna Kumari Pandey, ICMR SRF
Sapna Kumari Pandey, ICMR SRF
Sapna Kumari Pandey (LinkedIn) (Scopus ID: 57216129477) is a registered PhD Research Scholar working as a Project Research Scientist-I, ICMR at the Drug Theoretics and Cheminformatics Laboratory (DTC Lab), Pharmaceutical Technology Department of Jadavpur University, Kolkata, India. She completed her post-graduation studies at Jadavpur University with a specialization in Pharmaceutical Chemistry. Her research interests are in-silico drug designing, molecular modeling, and predictive chemometric modeling studies. Presently, she is working on novel similarity measures and read-across-based methodologies for various toxicity and ecotoxicity end-point predictions for organic chemicals.
Souvik Pore, SRF (Global Product Compliance)
Souvik Pore, SRF (Global Product Compliance)
Souvik Pore (Google Scholar, ORCID, ResearchGate, Personal Profile, SCOPUS ID 58149772600) is a PhD research scholar who specializes in machine learning-driven chemometric modeling, focusing on ecotoxicological and pharmacokinetic parameters. He completed his Bachelor's and Master's degrees at Jadavpur University, where he built a strong foundation in chemical and computational sciences. His research bridges data science and environmental health, aiming to develop predictive tools for assessing chemical safety and behavior. His work addresses key challenges in computational toxicology and supports regulatory science and green chemistry initiatives by developing reliable, interpretable predictive models.
Shilpayan Ghosh, SRF, ANRF
Shilpayan Ghosh, SRF, ANRF
Shilpayan Ghosh (Google Scholar) is a registered PhD Research Scholar working as a Senior Research Fellow (SRF) funded by ANRF (New Delhi), at the Drug Theoretics and Cheminformatics Laboratory (DTC Lab), Pharmaceutical Technology Department of Jadavpur University, Kolkata, India. He completed his Bachelor of Pharmacy (2021) from NSHM Knowledge Campus, Kolkata. In the same year, he qualified the national level Graduate Pharmacy Aptitude Test (GPAT) with AIR-361 and joined the Masters of Pharmacy (2021) with Pharmaceutical Chemistry as specialization in Jadavpur University, Kolkata under the supervision of Dr. Kunal Roy. Currently, he is pursuing his research work with the aim of exploring the chemical space of food compounds, food-drug interactions, and identifying potential drug leads for health benefits with the help of modern cheminformatics, chemometrics, structure-function relationships, and read-across, along with network analysis. During this period, his research work addresses the taste perception of food-related chemicals along with the development of a comprehensive database of food chemicals with computed molecular properties and features for future analysis.
Shubham Kumar Pandey
Shubham Kumar Pandey
Shubham Kumar Pandey (Google Scholar, ORCID, ResearchGate) is currently working as a Research Assistant at the Drug Theoretics and Cheminformatics Laboratory (DTC LAB), Department of Pharmaceutical Technology, Jadavpur University, Kolkata. He has completed his master’s in Pharmaceutical Chemistry specialization from Jadavpur University, Kolkata under the supervision of Prof. (Dr.) Kunal Roy. He has received the PROF. ANUPAM SENGUPTA MEMORIAL BRONZE MEDAL for securing the highest aggregate marks in the “Pharmaceutical Chemistry” specialization. During his master's, he worked on chemometric-driven predictions of properties associated with energetic materials and semiconductors. Currently, he is working on a project entitled “Read-across predictions of property and ecotoxicity endpoints of selected classes of chemicals”.
Masters students
Masters students
MD Mobarak Hossain
MD Mobarak Hossain
MD Mobarak Hossain completed his B.Pharm in 2023 from the Institute of Pharmacy, Jalpaiguri (affiliated with the West Bengal University of Health Sciences). He qualified the GPAT exam in 2023 with an All India Rank of 99, the NIPER JEE 2023 with an All India Rank of 507, and the IIT BHU M.Pharm entrance exam with an All India Rank of 42. Currently, he is pursuing an M.Pharm in Pharmaceutical Chemistry at Jadavpur University under the guidance of Dr. Kunal Roy.
His research interests include: Environmental and regulatory research on microplastics and plastic packaging materials, emphasizing hazard prediction, chemical safety, sustainability assessment, and model development using QSAR/QSPR and machine learning (ML) techniques.
Akash Chandra
Akash Chandra
Akash Chandra completed his B. Pharm from Guru Ghasidas Central University, Bilaspur, with a 9.18 CGPA and secured 3rd rank in the department. He qualified CUET PG-2024 and GPAT-2024 with an AIR of 275. Presently, he is pursuing M. Pharm in Pharmaceutical Chemistry at the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, under the guidance of Dr. Kunal Roy. His research involves QSPR, q-RASPR, and ML-based modeling of PFASs (per- and polyfluoroalkyl substances) to evaluate their environmental and human health impacts. He has also developed a Python-based tool that enhances the applicability of his research.
Sagnik Sarkar
Sagnik Sarkar
Sagnik Sarkar earned his B.Pharm degree from ISF College of Pharmacy and qualified for the national level Graduate Pharmacy Aptitude Test (GPAT). He is pursuing his postgraduate studies in Pharmaceutical Chemistry at Jadavpur University, Kolkata, working under the guidance of Prof. Kunal Roy. His research focuses on in silico toxicity modeling of Per and polyfluoroalkyl substances (PFAS) using q-RASAR, with an emphasis on elucidating the correlation between chemical features and their adverse impacts on human health and the environment.
Selected Alumni of DTC Lab
Selected Alumni of DTC Lab
Supratik Kar, Kean University, USA
Supratik Kar, Kean University, USA
Pravin Ambure, ProtoQSAR, Spain
Pravin Ambure, ProtoQSAR, Spain
Dr. Partha Pratim Roy, Guru Ghasidas Vishwavidyalaya, India
Dr. Partha Pratim Roy, Guru Ghasidas Vishwavidyalaya, India
Dr. Partha Pratim Roy (ORCID, Publons) is presently working as an Associate Professor in the Department of Pharmacy, Guru Ghasidas Vishwavidyalaya, Bilaspur, (A Central University), INDIA. He did his B.Pharm, M.Pharm and PhD from Jadavpur University, Kolkata. He has done his M.Pharm and PhD under the supervision of Professor Kunal Roy. He worked as a post-doctoral fellow under the European project CADASTER at the University of Insubria, Italy. His field of interest is “In silico Drug Design, ADME and Toxicity modelling”. Dr. Roy has published more than 50 research papers/review articles in peer-reviewed journals. His work has been cited more than 3100 times with an h-index of 22 (SCOPUS). Dr. Roy has successfully handled and completed projects from UGC, DST.
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