| Prediction reliability of QSAR models: an overview of various validation tools P De, S Kar, P Ambure, K Roy Archives of Toxicology 96 (5), 1279-1295, 2022 | 111 | 2022 |
| A novel quantitative read-across tool designed purposefully to fill the existing gaps in nanosafety data M Chatterjee, A Banerjee, P De, A Gajewicz-Skretna, K Roy Environmental Science: Nano 9 (1), 189-203, 2022 | 93 | 2022 |
| Quantitative predictions from chemical read-across and their confidence measures A Banerjee, M Chatterjee, P De, K Roy Chemometrics and Intelligent Laboratory Systems 227, 104613, 2022 | 59 | 2022 |
| Quick and efficient quantitative predictions of androgen receptor binding affinity for screening endocrine disruptor chemicals using 2D-QSAR and chemical read-across A Banerjee, P De, V Kumar, S Kar, K Roy Chemosphere 309, 136579, 2022 | 43 | 2022 |
| Second generation periodic table-based descriptors to encode toxicity of metal oxide nanoparticles to multiple species: QSTR modeling for exploration of toxicity mechanisms P De, S Kar, K Roy, J Leszczynski Environmental Science: Nano 5 (11), 2742-2760, 2018 | 39 | 2018 |
| In silico modeling for quick prediction of inhibitory activity against 3CLpro enzyme in SARS CoV diseases P De, S Bhayye, V Kumar, K Roy Journal of Biomolecular Structure and Dynamics 40 (3), 1010-1036, 2022 | 28 | 2022 |
| Chemometric modeling of larvicidal activity of plant derived compounds against zika virus vector Aedes aegypti: application of ETA indices P De, RB Aher, K Roy RSC advances 8 (9), 4662-4670, 2018 | 26 | 2018 |
| Repurposing FDA approved drugs as possible anti-SARS-CoV-2 medications using ligand-based computational approaches: sum of ranking difference-based model selection P De, V Kumar, S Kar, K Roy, J Leszczynski Structural Chemistry 33 (5), 1741-1753, 2022 | 22 | 2022 |
| A multi-layered variable selection strategy for QSAR modeling of butyrylcholinesterase inhibitors V Kumar, P De, PK Ojha, A Saha, K Roy Current Topics in Medicinal Chemistry 20 (18), 1601-1627, 2020 | 22 | 2020 |
| QSAR modelling of inhalation toxicity of diverse volatile organic molecules using no observed adverse effect concentration (NOAEC) as the endpoint A Nath, P De, K Roy Chemosphere 287, 131954, 2022 | 21 | 2022 |
| Greener chemicals for the future: QSAR modelling of the PBT index using ETA descriptors P De, K Roy SAR and QSAR in Environmental Research 29 (4), 319-337, 2018 | 19 | 2018 |
| QSAR and QSAAR modeling of nitroimidazole sulfonamide radiosensitizers: application of small dataset modeling P De, K Roy Structural Chemistry 32, 631-642, 2021 | 17 | 2021 |
| Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study V Kumar, S Kar, P De, K Roy, J Leszczynski SAR and QSAR in Environmental Research 33 (5), 357-386, 2022 | 14 | 2022 |
| Exploration of nitroimidazoles as radiosensitizers: application of multilayered feature selection approach in QSAR modeling P De, D Bhattacharyya, K Roy Structural Chemistry 31 (3), 1043-1055, 2020 | 11 | 2020 |
| Application of multilayered strategy for variable selection in QSAR modeling of PET and SPECT imaging agents as diagnostic agents for Alzheimer’s disease P De, D Bhattacharyya, K Roy Structural Chemistry 30 (6), 2429-2445, 2019 | 10 | 2019 |
| Nitroaromatics as hypoxic cell radiosensitizers: A 2D-QSAR approach to explore structural features contributing to radiosensitization effectiveness P De, K Roy European Journal of Medicinal Chemistry Reports 4, 100035, 2022 | 9 | 2022 |
| QSAR modeling of PET imaging agents for the diagnosis of Parkinson’s disease targeting dopamine receptor P De, K Roy Theoretical Chemistry Accounts 139 (12), 176, 2020 | 7 | 2020 |
| In silico modelling of acute toxicity of 1, 2, 4-triazole antifungal agents towards zebrafish (Danio rerio) embryos: Application of the Small Dataset Modeller tool A Nath, P De, K Roy Toxicology in Vitro 75, 105205, 2021 | 6 | 2021 |
| Computational modeling of PET imaging agents for vesicular acetylcholine transporter (VAChT) protein binding affinity: application of 2D-QSAR modeling and molecular docking … P De, K Roy In Silico Pharmacology 11 (1), 9, 2023 | 5 | 2023 |
| Computational modeling of ACE2-mediated cell entry inhibitors for the development of drugs against coronaviruses P De, K Roy In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and …, 2021 | 3 | 2021 |
KUNAL ROYProfessor, Jadavpur University, DTC Laboratory, Dept. Pharmaceutical Technology, India確認したメール アドレス: jadavpuruniversity.in