| Experimental and Computational Studies on Remote γ-C(sp3)–H Silylation and Germanylation of Aliphatic Carboxamides A Deb, S Singh, K Seth, S Pimparkar, B Bhaskararao, S Guin, RB Sunoj, ... ACS Catalysis 7 (12), 8171-8175, 2017 | 100 | 2017 |
| A unified machine-learning protocol for asymmetric catalysis as a proof of concept demonstration using asymmetric hydrogenation S Singh, M Pareek, A Changotra, S Banerjee, B Bhaskararao, ... Proceedings of the National Academy of Sciences 117 (3), 1339-1345, 2020 | 81 | 2020 |
| Pd-Catalyzed γ-C(sp3)–H Fluorination of Free Amines YQ Chen, S Singh, Y Wu, Z Wang, W Hao, P Verma, JX Qiao, RB Sunoj, ... Journal of the American Chemical Society 142 (22), 9966-9974, 2020 | 79 | 2020 |
| Is silver a mere terminal oxidant in palladium catalyzed C–H bond activation reactions? B Bhaskararao, S Singh, M Anand, P Verma, P Prakash, C Athira, ... Chemical Science 11 (1), 208-216, 2020 | 58 | 2020 |
| Aliphatic C (sp3)–H bond activation using nickel catalysis: mechanistic insights on regioselective arylation S Singh, K Surya, RB Sunoj The Journal of Organic Chemistry 82 (18), 9619-9626, 2017 | 36 | 2017 |
| Ir-catalyzed ligand-free directed C–H borylation of arenes and pharmaceuticals: detailed mechanistic understanding MM Mahamudul Hassan, B Mondal, S Singh, C Haldar, J Chaturvedi, ... The Journal of Organic Chemistry 87 (6), 4360-4375, 2022 | 24 | 2022 |
| Molecular Machine Learning for Chemical Catalysis: Prospects and Challenges S Singh, RB Sunoj Accounts of Chemical Research, 2023 | 15 | 2023 |
| Mechanism and origin of enantioselectivity in nickel-catalyzed alkyl–alkyl Suzuki coupling reaction S Singh, RB Sunoj The Journal of Physical Chemistry A 123 (31), 6701-6710, 2019 | 14 | 2019 |
| A transfer learning protocol for chemical catalysis using a recurrent neural network adapted from natural language processing S Singh, RB Sunoj Digital Discovery, 2022 | 13 | 2022 |
| Computational asymmetric catalysis: On the origin of stereoselectivity in catalytic reactions S Singh, RB Sunoj Advances in Physical Organic Chemistry 53, 1-27, 2019 | 6 | 2019 |
| A Transfer Learning Approach for Reaction Discovery in Small Data Situations Using Generative Model S Singh, RB Sunoj iScience 25, 104661, 2022 | 4 | 2022 |
| Tanimoto Random Features for Scalable Molecular Machine Learning A Tripp, S Bacallado, S Singh, JM Hernández-Lobato Neural Information Processing Systems, 2023 | 1 | 2023 |
Raghavan B. SunojProfessor of Chemistry, Indian Institute of Technology Bombay (IIT Bombay)Verified email at iitb.ac.in
