QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (benzo-)triazoles. - Partha Pratim Roy 002; Simona Kovarich; Paola Gramatica (J. Comput. Chem., 2011)

Reply to the comment of S. Rayne on "QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (Benzo-)triazoles". - Paola Gramatica; Simona Kovarich; Partha Pratim Roy 002 (J. Comput. Chem., 2013)

Application of GFA-MLR and G/PLS Techniques in QSAR/QSPR Studies with Application in Medicinal Chemistry and Predictive Toxicology. - Partha Pratim Roy 002; Supratim Ray; Kunal Roy (Handbook of Genetic Programming Applications, 2015)

Synthesis, thymidine phosphorylase inhibitory and computational study of novel 1, 3, 4-oxadiazole-2-thione derivatives as potential anticancer agents. - Shalini Bajaj; Partha Pratim Roy 002; Jagadish Singh (Comput. Biol. Chem., 2018)

Discovery of newer 1,3,4-Oxadiazole clubbed Isoindoline-1,3-dione derivatives as potential anticancer agents: Design, machine learning, synthesis, molecular docking, ADMET, DFT and MD simulation. - Balaji Wamanrao Matore; Anjali Murmu; Purusottam Banjare; Naveen Kumar Vishvakarma; Partha Pratim Roy 002; Jagadish Singh (Comput. Biol. Chem., 2025)