| Learning matter: Materials design with machine learning and atomistic simulations S Axelrod, D Schwalbe-Koda, S Mohapatra, J Damewood, KP Greenman, ... Accounts of Materials Research 3 (3), 343-357, 2022 | 67 | 2022 |
| Bottlebrush polymers with flexible enantiomeric side chains display differential biological properties HVT Nguyen, Y Jiang, S Mohapatra, W Wang, JC Barnes, NJ Oldenhuis, ... Nature Chemistry 14 (1), 85-93, 2022 | 63 | 2022 |
| Deep learning to design nuclear-targeting abiotic miniproteins CK Schissel, S Mohapatra, JM Wolfe, CM Fadzen, K Bellovoda, CL Wu, ... Nature chemistry 13 (10), 992-1000, 2021 | 55 | 2021 |
| Chemistry-informed macromolecule graph representation for similarity computation, unsupervised and supervised learning S Mohapatra, J An, R Gómez-Bombarelli Machine Learning: Science and Technology 3 (1), 015028, 2022 | 49* | 2022 |
| Deep Learning for Prediction and Optimization of Rapid Flow Peptide Synthesis S Mohapatra, N Hartrampf, M Poskus, A Loas, R Gomez-Bombarelli, ... ChemRxiv, 2020 | 44* | 2020 |
| Synthetic glycomacromolecules of defined valency, absolute configuration, and topology distinguish between human lectins M Hartweg, Y Jiang, G Yilmaz, CM Jarvis, HVT Nguyen, GA Primo, ... JACS Au 1 (10), 1621-1630, 2021 | 37 | 2021 |
| Deep learning enables discovery of a short nuclear targeting peptide for efficient delivery of antisense oligomers EM López-Vidal, CK Schissel, S Mohapatra, K Bellovoda, CL Wu, ... JACS Au 1 (11), 2009-2020, 2021 | 20 | 2021 |
| Quantitative mapping of molecular substituents to macroscopic properties enables predictive design of oligoethylene glycol-based lithium electrolytes B Qiao, S Mohapatra, J Lopez, GM Leverick, R Tatara, Y Shibuya, Y Jiang, ... ACS central science 6 (7), 1115-1128, 2020 | 19 | 2020 |
| A Model Ensemble Approach Enables Data-Driven Property Prediction for Chemically Deconstructable Thermosets in the Low-Data Regime YS AlFaraj, S Mohapatra, P Shieh, KEL Husted, DG Ivanoff, EM Lloyd, ... ACS Central Science 9 (9), 1810-1819, 2023 | 18 | 2023 |
| Iclr 2021 challenge for computational geometry & topology: Design and results N Miolane, M Caorsi, U Lupo, M Guerard, N Guigui, J Mathe, Y Cabanes, ... arXiv preprint arXiv:2108.09810, 2021 | 16 | 2021 |
| Systematic investigation and in vitro biocompatibility studies on implantable magnetic nanocomposites for hyperthermia treatment of osteoarthritic knee joints S Mohapatra, R Mishra, P Roy, KL Yadav, S Satapathi Journal of Materials Science 52, 9262-9268, 2017 | 16 | 2017 |
| Machine learning guides peptide nucleic acid flow synthesis and sequence design C Li, G Zhang, S Mohapatra, AJ Callahan, A Loas, R Gómez‐Bombarelli, ... Advanced Science 9 (34), 2201988, 2022 | 9 | 2022 |
| Reusability report: Designing organic photoelectronic molecules with descriptor conditional recurrent neural networks S Mohapatra, T Yang, R Gómez-Bombarelli Nature Machine Intelligence 2 (12), 749-752, 2020 | 7 | 2020 |
| Impact of cyclodextrin in drug delivery system S Mohapatra, O Sapra, S Paroha, RD Dubey Sustainable Agriculture Reviews 27, 271-293, 2018 | 3 | 2018 |
| Implantable Magnetic-Dielectric Composites for Prolonged Hyperthermia Treatment of Hepatic Lesions S Mohapatra, KL Yadav, A Srivastava J Biotechnol Biomater 6 (230), 2, 2016 | 3 | 2016 |
| Passenger demand forecasting of Indian aviation industry MK Barua, S Mohapatra The XVIII Annual International Conference of the Society of Operations …, 2014 | 2 | 2014 |
| Design of Cytotoxic T Cell Epitopes by Machine Learning of Human Degrons NL Truex, S Mohapatra, M Melo, J Rodriguez, N Li, W Abraham, ... ACS Central Science 10 (4), 793-802, 2024 | 1 | 2024 |
| Sentiment is all you need to win US Presidential elections S Mohapatra, S Mohapatra arXiv preprint arXiv:2209.13487, 2022 | 1 | 2022 |
| Unsupervised machine learning leads to an abiotic picomolar peptide ligand JS Brown, S Mohapatra, MA Lee, R Misteli, Y Tseo, NM Grob, ... | | 2023 |
| AI-assisted reaction impurity prediction and inverse structure elucidation S Mohapatra Massachusetts Institute of Technology, 2023 | | 2023 |
Rafael Gómez-BombarelliAssociate Professor, MIT DMSEVerified email at mit.edu
