All Stories

  1. Ecotoxicological QSAR modelling of organic chemicals against Pseudokirchneriella subcapitata using consensus predictions approach

    Article • SAR and QSAR in Environmental Research, September 2019, Taylor & Francis

    Kunal Roy

  2. Consensus QSPR modelling for the prediction of cellular response and fibrinogen adsorption to the surface of polymeric biomaterials

    Article • SAR and QSAR in Environmental Research, May 2019, Taylor & Francis

    Kunal Roy

  3. Target prioritization of novel substituted 5-aryl-2-oxo-/thioxo-2,3-dihydro-1H-benzo[6,7]chromeno[2,3-d]pyrimidine-4,6,11(5H)-triones as anticancer agents using in-silico approach

    Article • Journal of Biomolecular Structure and Dynamics, April 2019, Taylor & Francis

    Professor Goutam Brahmachari, Kunal Roy

  4. Risk assessment of heterogeneous TiO2-based engineered nanoparticles (NPs): a QSTR approach using simple periodic table based descriptors

    Article • Nanotoxicology, April 2019, Taylor & Francis

    Kunal Roy, Joyita Roy, probir Ojha

  5. Design of antimalarial transmission blocking agents: Pharmacophore mapping of ligands active against stage-V mature gametocytes of Plasmodium falciparum

    Article • Journal of Biomolecular Structure and Dynamics, November 2018, Taylor & Francis

    Kunal Roy

  6. QSPR modelling for prediction of glass transition temperature of diverse polymers

    Article • SAR and QSAR in Environmental Research, November 2018, Taylor & Francis

    Kunal Roy

  7. Current approaches for choosing feature selection and learning algorithms in quantitative structure–activity relationships (QSAR)

    Article • Expert Opinion on Drug Discovery, November 2018, Taylor & Francis

    Kunal Roy

  8. Toward comprehension of multiple human cells uptake of engineered nano metal oxides: quantitative inter cell line uptake specificity (QICLUS) modeling

    Article • Nanotoxicology, October 2018, Taylor & Francis

    Supratik Kar, Kunal Roy, Professor Jerzy Leszczynski, probir Ojha

  9. A Comparative Study on Selective PPAR Modulators through Quantitative Structure-activity Relationship, Pharmacophore and Docking Analyses

    Article • Current Computer - Aided Drug Design, March 2018, Bentham Science Publishers

    Kunal Roy, ASHIS NANDY

  10. Greener chemicals for the future: QSAR modelling of the PBT index using ETA descriptors

    Article • SAR and QSAR in Environmental Research, February 2018, Taylor & Francis

    Kunal Roy

  11. Is it possible to improve the quality of predictions from an “intelligent” use of multiple QSAR/QSPR/QSTR models?

    Article • Journal of Chemometrics, January 2018, Wiley

    Kunal Roy

  12. Exploring Structural Requirements of Imaging Agents Against Aβ Plaques in Alzheimer’s Disease: A QSAR Approach

    Article • Combinatorial Chemistry & High Throughput Screening, April 2015, Bentham Science Publishers

    Kunal Roy

  13. Understanding the Structural Requirements in Diverse Scaffolds for the Inhibition of P. falciparum Dihydroorotate Dehydrogenase (PfDHODH) Using 2D-QSAR, 3D-Pharmacophore and Structure-Based Energy- Optimized Pharmacophore Models

    Article • Combinatorial Chemistry & High Throughput Screening, February 2015, Bentham Science Publishers

    Kunal Roy

  14. The Current Status of Antimalarial Drug Research with Special Reference to Application of QSAR Models

    Article • Combinatorial Chemistry & High Throughput Screening, February 2015, Bentham Science Publishers

    Kunal Roy

  15. Editorial (Thematic Issue: Application of Chemometrics and Cheminformatics in Antimalarial Drug Research)

    Article • Combinatorial Chemistry & High Throughput Screening, February 2015, Bentham Science Publishers

    Kunal Roy

  16. First Report on Two-Fold Classification of Plasmodium falciparum Carbonic Anhydrase Inhibitors Using QSAR Modeling Approaches

    Article • Combinatorial Chemistry & High Throughput Screening, November 2014, Bentham Science Publishers

    Kunal Roy

  17. QSAR of Anti-alzheimer's agents

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Kunal Roy

  18. A quantitative structure-property relationship approach to determine the essential molecular functionalities of potent odorants

    Article • Flavour and Fragrance Journal, December 2013, Wiley

    Kunal Roy

  19. Exploration of Important Sites of Antimalarial Endochins for Optimum Structural Modification Using Group-Based QSAR (G-QSAR) Modeling

    Article • Current Computer - Aided Drug Design, August 2013, Bentham Science Publishers

    Kunal Roy