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)

First report on exploring structural requirements of alpha and beta thymidine analogs for PfTMPK inhibitory activity using in silico studies. - Probir Kumar Ojha; Kunal Roy (Biosyst., 2013)

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)

Cheminformatic modelling of β-amyloid aggregation inhibitory activity against Alzheimer's disease. - Vinay Kumar; Probir Kumar Ojha; Achintya Saha; Kunal Roy (Comput. Biol. Medicine, 2020)

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)