Materials Informatics II: Software Tools and Databases

About

Dr. Kunal Roy is Professor & Ex-Head in the Department of Pharmaceutical Technology Jadavpur University Kolkata India. He has been a recipient of the Commonwealth Academic Staff Fellowship (University of Manchester 2007) and Marie Curie International Incoming Fellowship (University of Manchester 2013) and a former visiting scientist of Istituto di Ricerche Farmacologiche Mario Negri IRCCS Milano Italy. The field of his research interest is Quantitative structure-activity Relationship (QSAR) and Molecular Modeling with applications in Drug Design Property Modeling and Predictive Ecotoxicology. Dr. Roy has published more than 380 research articles in refereed journals (current SCOPUS h index 55; total citations to date more than 15000). He has also co-authored two QSAR-related books (Academic Press and Springer) edited six QSAR books (Springer Academic Press and IGI Global) and published more than ten book chapters. Dr. Roy is the Co-Editor-in-Chief of Molecular Diversity (Springer Nature) and an Associate Editor of the Computational and Structural Biotechnology Journal (Elsevier). Dr. Roy serves on the Editorial Boards of several International journals including (1) European Journal of Medicinal Chemistry (Elsevier); (2) Journal of Molecular Graphics and Modelling (Elsevier); (3) Chemical Biology and Drug Design (Wiley); and (4) Expert Opinion on Drug Discovery (Informa). Apart from this Prof. Roy is a regular reviewer for QSAR papers in the journals like Chemosphere (Elsevier) Journal of Hazardous Materials (Elsevier) Ecotoxicology and Environmental Safety (Elsevier) Journal of Chemical Information and Modeling (ACS) ACS Omega (ACS) RSC Advances (RSC) Molecular Informatics (Wiley) SAR and QSAR in Environmental Research (T&F) etc. Prof. Roy has been recipient of several awards including AICTE Career Award (2003-04) DST Fast Track Scheme for Young Scientists (2005) Bioorganic and Medicinal Chemistry Most Cited Paper 2003-2006 2004-2007 and 2006-2009 Awards from Elsevier The Netherlands Bioorganic and Medicinal Chemistry Letters Most Cited Paper 2006-2009 Award from Elsevier The Netherlands Professor R. D. Desai 80th Birthday Commemoration Medal & Prize (2017) from Indian Chemical Society etc. Prof. Roy has been a participant in the EU funded projects nanoBRIDGES and IONTOX apart from several national Government funded projects (UGC AICTE CSIR ICMR DBT DAE). Prof. Roy has recently been placed in the list of the World's Top 2% science-wide author database (2023) (World rank 55 in the subfield of Medicinal & Biomolecular Chemistry) (Ioannidis John P.A. (2024) August 2024 data-update for Updated science-wide author databases of standardized citation indicators Elsevier Data Repository.   Arkaprava Banerjee 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-two research articles published in reputed journals and two book chapters with overall citations of 392 and an h-index of 11 (Scopus). His ORCID identifier is 0000-0001-8468-0784 His expertise lies in 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 the Prof. Anupam Sengupta Bronze Medal from Jadavpur University for securing the highest marks in Pharmaceutical Chemistry in the MPharm Examination. He has also received a special diploma awarded by the Institute of Biomedical Chemistry Moscow Russia and the ASCCT Travel Award from the American Society for Cellular and Computation Toxicology. 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.  Recently he coauthored a book on q-RASAR which was published by Springer.