| Unveiling critical structural features for effective HDAC8 inhibition: a comprehensive study using quantitative read-across structure–activity relationship (q-RASAR) and … S Khatun, I Dasgupta, R Islam, SA Amin, T Jha, DK Dhaked, S Gayen Molecular Diversity, 1-19, 2024 | 3 | 2024 |
| Histone deacetylase 8 in focus: Decoding structural prerequisites for innovative epigenetic intervention beyond hydroxamates S Khatun, I Dasgupta, S Sen, SA Amin, IA Qureshi, T Jha, S Gayen International Journal of Biological Macromolecules 284, 138119, 2025 | | 2025 |
| ML-based Read-Across Structure-Property Relationship (RASPR) strategy for predicting protein resistance of self-assembled monolayers (SAMs) as anti-biofouling materials I Dasgupta, B Das, SA Amin, S Gayen Materials Today Communications 42, 111089, 2025 | | 2025 |
| Exploring molecular fragments for fraction unbound in human plasma of chemicals: a fragment-based cheminformatics approach S Banerjee, A Bhattacharya, I Dasgupta, S Gayen, SA Amin SAR and QSAR in Environmental Research 35 (9), 817-836, 2024 | | 2024 |
| Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification I Dasgupta, T Das, B Das, S Gayen Beilstein Journal of Nanotechnology 15 (1), 909-924, 2024 | | 2024 |
