Comparative Studies on Some Metrics for External Validation of QSPR Models. - Kunal Roy; Indrani Mitra; Supratik Kar; Probir Kumar Ojha; Rudra Narayan Das; Humayun Kabir (J. Chem. Inf. Model., 2012)

Some case studies on application of "rm2" metrics for judging quality of quantitative structure-activity relationship predictions: Emphasis on scaling of response data. - Kunal Roy; Pratim Chakraborty; Indrani Mitra; Probir Kumar Ojha; Supratik Kar; Rudra Narayan Das (J. Comput. Chem., 2013)

Pharmacophore mapping-based virtual screening followed by molecular docking studies in search of potential acetylcholinesterase inhibitors as anti-Alzheimer's agents. - Pravin Ambure; Supratik Kar; Kunal Roy (Biosyst., 2014)

Quantification of contributions of molecular fragments for eye irritation of organic chemicals using QSAR study. - Supratik Kar; Kunal Roy (Comput. Biol. Medicine, 2014)

Power Conversion Efficiency of Arylamine Organic Dyes for Dye-Sensitized Solar Cells (DSSCs) Explicit to Cobalt Electrolyte: Understanding the Structural Attributes Using a Direct QSPR Approach. - Supratik Kar; Juganta K. Roy; Danuta Leszczynska; Jerzy Leszczynski (Comput., 2017)

The kernel-weighted local polynomial regression (KwLPR) approach: an efficient, novel tool for development of QSAR/QSAAR toxicity extrapolation models. - Agnieszka Gajewicz-Skretna; Supratik Kar; Magdalena Piotrowska; Jerzy Leszczynski (J. Cheminformatics, 2021)

Computer-assisted identification of potential quinolone derivatives targeting Nipah virus glycoprotein attachment with human cell surface receptor ephrin-B2: Multistep virtual screening. - Siyun Yang; Supratik Kar (Comput. Biol. Medicine, 2023)

Ligand-based cheminformatics and free energy-inspired molecular simulations for prioritizing and optimizing G-protein coupled receptor kinase-6 (GRK6) inhibitors in multiple myeloma treatment. - Arnab Bhattacharjee; Supratik Kar; Probir Kumar Ojha (Comput. Biol. Chem., 2025)