| Molecular graph convolutions: moving beyond fingerprints S Kearnes, K McCloskey, M Berndl, V Pande, P Riley Journal of computer-aided molecular design 30, 595-608, 2016 | 1868 | 2016 |
| Machine learning on DNA-encoded libraries: a new paradigm for hit finding K McCloskey, EA Sigel, S Kearnes, L Xue, X Tian, D Moccia, D Gikunju, ... Journal of Medicinal Chemistry 63 (16), 8857-8866, 2020 | 145 | 2020 |
| Evaluating attribution for graph neural networks B Sanchez-Lengeling, J Wei, B Lee, E Reif, P Wang, W Qian, ... Advances in neural information processing systems 33, 5898-5910, 2020 | 144 | 2020 |
| Using attribution to decode binding mechanism in neural network models for chemistry K McCloskey, A Taly, F Monti, MP Brenner, LJ Colwell Proceedings of the National Academy of Sciences, 201820657, 2019 | 110 | 2019 |
| A machine-learning based objective measure for ALS disease severity FG Vieira, S Venugopalan, AS Premasiri, M McNally, A Jansen, ... NPJ digital medicine 5 (1), 45, 2022 | 33 | 2022 |
| Contrail Detection on GOES-16 ABI With the OpenContrails Dataset JYH Ng, K McCloskey, J Cui, VR Meijer, E Brand, A Sarna, N Goyal, ... IEEE Transactions on Geoscience and Remote Sensing, 2023 | 23* | 2023 |
| A scalable system to measure contrail formation on a per-flight basis S Geraedts, E Brand, TR Dean, S Eastham, C Elkin, Z Engberg, U Hager, ... Environmental Research Communications 6 (1), 015008, 2024 | 16 | 2024 |
| A human-labeled Landsat-8 contrails dataset K McCloskey, S Geraedts, B Jackman, VR Meijer, E Brand, D Fork, ... Proceedings of the ICML 2021 Workshop on Tackling Climate Change with …, 2021 | 16 | 2021 |
| Tagging of fruit-producing flowers for robotic selective harvesting MA Stubbs, KJF McCloskey US Patent 9,532,508, 2017 | 16 | 2017 |
| Crystal structure search with random relaxations using graph networks G Cheon, L Yang, K McCloskey, EJ Reed, ED Cubuk arXiv preprint arXiv:2012.02920 6, 2020 | 15 | 2020 |
| Tagging of fruit-producing flowers for robotic selective harvesting MA Stubbs, KJF McCloskey US Patent 9,913,429, 2018 | 12 | 2018 |
| Estimates of broadband upwelling irradiance from GOES-16 ABI K McCloskey, S Chen, VR Meijer, JYH Ng, G Davis, C Elkin, ... Remote Sensing of Environment 285, 113376, 2023 | 3 | 2023 |
| The EventScope Remote Science Operations Tool: Using a Visualization of a Remote Location as an Interface for Robotic Exploration. E Myers, P Coppin, M Wagner, L Lu, WR McCloskey, D Seneker, ... IEEE Visualization, 104, 2005 | 2 | 2005 |
| The effect of uncertainty in humidity and model parameters on the prediction of contrail energy forcing JC Platt, ML Shapiro, Z Engberg, K McCloskey, S Geraedts, T Sankar, ... Environmental Research Communications 6 (9), 095015, 2024 | 1 | 2024 |
| Benchmarking and improving algorithms for attributing satellite-observed contrails to flights A Sarna, V Meijer, R Chevallier, A Duncan, K McConnaughay, S Geraedts, ... EGUsphere 2025, 1-58, 2025 | | 2025 |
| Feasibility test of per-flight contrail avoidance in commercial aviation A Sonabend-W, C Elkin, T Dean, J Dudley, N Ali, J Blickstein, E Brand, ... Communications Engineering 3 (1), 184, 2024 | | 2024 |
| Dataset of Random Relaxations for Crystal Structure Search of Li-Si System G Cheon, L Yang, K McCloskey, EJ Reed, ED Cubuk arXiv preprint arXiv:2012.02920, 2020 | | 2020 |
| ML-driven search for zero-emissions ammonia production materials K McCloskey The International Conference on Machine Learning, Workshop on Climate Change, 2019 | | 2019 |
| The effect of uncertainty in humidity and model parameters on the prediction of contrail energy forcing T Sankar, J Platt, ML Shapiro, Z Engberg, S Geraedts, K McCloskey, ... AGU24, 0 | | |
| Reassessing Contrail Climate Impacts. A Sonabend, R von Behren, K Caldeira, A Gettelman, J Platt, ... AGU24, 0 | | |
