| Probing the environmental toxicity of deep eutectic solvents and their components: An in silico modeling approach AK Halder, MNDS Cordeiro ACS sustainable chemistry & engineering 7 (12), 10649-10660, 2019 | 113 | 2019 |
| QSAR-Co: an open source software for developing robust multitasking or multitarget classification-based QSAR models P Ambure, AK Halder, H Gonzalez Diaz, MNDS Cordeiro Journal of chemical information and modeling 59 (6), 2538-2544, 2019 | 81 | 2019 |
| Robust design of some selective matrix metalloproteinase-2 inhibitors over matrix metalloproteinase-9 through in silico/fragment-based lead identification and de novo lead … N Adhikari, AK Halder, S Mallick, A Saha, KD Saha, T Jha Bioorganic & Medicinal Chemistry 24 (18), 4291-4309, 2016 | 54 | 2016 |
| Design of dual MMP-2/HDAC-8 inhibitors by pharmacophore mapping, molecular docking, synthesis and biological activity AK Halder, S Mallick, D Shikha, A Saha, KD Saha, T Jha RSC advances 5 (88), 72373-72386, 2015 | 54 | 2015 |
| Exploring QSAR and pharmacophore mapping of structurally diverse selective matrix metalloproteinase-2 inhibitors AK Halder, A Saha, T Jha Journal of Pharmacy and Pharmacology 65 (10), 1541-1554, 2013 | 38 | 2013 |
| Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents C Mondal, AK Halder, N Adhikari, A Saha, KD Saha, S Gayen, T Jha European Journal of Medicinal Chemistry 90, 860-875, 2015 | 37 | 2015 |
| Structural findings of phenylindoles as cytotoxic antimitotic agents in human breast cancer cell lines through multiple validated QSAR studies N Adhikari, AK Halder, A Saha, KD Saha, T Jha Toxicology in Vitro 29 (7), 1392-1404, 2015 | 35 | 2015 |
| Validated predictive QSAR modeling of N-aryl-oxazolidinone-5-carboxamides for anti-HIV protease activity AK Halder, T Jha Bioorganic & medicinal chemistry letters 20 (20), 6082-6087, 2010 | 33 | 2010 |
| Comparative QSAR modelling of 2-phenylindole-3-carbaldehyde derivatives as potential antimitotic agents AK Halder, N Adhikari, T Jha Bioorganic & medicinal chemistry letters 19 (6), 1737-1739, 2009 | 33 | 2009 |
| QSAR modelling: A therapeutic patent review 2010-present AK Halder, AS Moura, MNDS Cordeiro Expert opinion on therapeutic patents 28 (6), 467-476, 2018 | 31 | 2018 |
| Synthesis, pharmacological activity and comparative QSAR modeling of 1, 5-N, N′-substituted-2-(substituted naphthalenesulphonyl) glutamamides as possible anticancer agents AK Halder, N Adhikary, MK Maity, T Jha European journal of medicinal chemistry 45 (5), 1760-1771, 2010 | 30 | 2010 |
| Exploring structural requirements of aurone derivatives as antimalarials by validated DFT-based QSAR, HQSAR, and COMFA–COMSIA approach N Adhikari, AK Halder, C Mondal, T Jha Medicinal Chemistry Research 22, 6029-6045, 2013 | 29 | 2013 |
| Turning deep-eutectic solvents into value-added products for CO2 capture: A desirability-based virtual screening study AK Halder, P Ambure, Y Perez-Castillo, MNDS Cordeiro Journal of CO2 Utilization 58, 101926, 2022 | 28 | 2022 |
| QSAR-Co-X: an open source toolkit for multitarget QSAR modelling AK Halder, MN Dias Soeiro Cordeiro Journal of Cheminformatics 13, 1-18, 2021 | 28 | 2021 |
| Density of deep eutectic solvents: the path forward cheminformatics-driven reliable predictions for mixtures AK Halder, R Haghbakhsh, IV Voroshylova, ARC Duarte, MNDS Cordeiro Molecules 26 (19), 5779, 2021 | 27 | 2021 |
| Finding the structural requirements of diverse HIV-1 protease inhibitors using multiple QSAR modelling for lead identification AK Halder SAR and QSAR in Environmental Research 29 (11), 911-933, 2018 | 27 | 2018 |
| Potential of histone deacetylase inhibitors in the control and regulation of prostate, breast and ovarian cancer SD Pramanik, A Kumar Halder, U Mukherjee, D Kumar, YN Dey Frontiers in chemistry 10, 948217, 2022 | 26 | 2022 |
| Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR approaches AK Halder, SA Amin, T Jha, S Gayen SAR and QSAR in Environmental Research 28 (3), 253-273, 2017 | 24 | 2017 |
| Stepwise development of structure–activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and … AK Halder, A Saha, KD Saha, T Jha Journal of Biomolecular Structure and Dynamics 33 (8), 1756-1779, 2015 | 24 | 2015 |
| A unified in silico model based on perturbation theory for assessing the genotoxicity of metal oxide nanoparticles AK Halder, A Melo, MNDS Cordeiro Chemosphere 244, 125489, 2020 | 22 | 2020 |
