| Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back BA Koscher, RB Canty, MA McDonald, KP Greenman, CJ McGill, ... Science 382 (6677), eadi1407, 2023 | 69 | 2023 |
| Synthesis, characterization, and recycling of bio-derivable polyester covalently adaptable networks for industrial composite applications C Wang, A Singh, EG Rognerud, R Murray, GM Musgrave, M Skala, ... Matter 7 (2), 550-568, 2024 | 14 | 2024 |
| Integrating autonomy into automated research platforms RB Canty, BA Koscher, MA McDonald, KF Jensen Digital Discovery 2 (5), 1259-1268, 2023 | 10 | 2023 |
| Calibration-free reaction yield quantification by HPLC with a machine-learning model of extinction coefficients MA McDonald, BA Koscher, RB Canty, KF Jensen Chemical Science, 2024 | 8 | 2024 |
| Engineering a Sustainable Future: Harnessing Automation, Robotics, and Artificial Intelligence with Self-Driving Laboratories S Sadeghi, RB Canty, N Mukhin, J Xu, F Delgado-Licona, M Abolhasani ACS Sustainable Chemistry & Engineering 12 (34), 12695-12707, 2024 | 4 | 2024 |
| Reproducibility in automated chemistry laboratories using computer science abstractions RB Canty, M Abolhasani Nature Synthesis 3 (11), 1327-1339, 2024 | 3 | 2024 |
| Sharing reproducible synthesis recipes RB Canty, KF Jensen Nature Synthesis 3 (4), 428-429, 2024 | 2 | 2024 |
| Autonomous experimentation for molecular discovery applications RB Canty Massachusetts Institute of Technology, 2024 | 1 | 2024 |
| Bayesian Optimization over Multiple Experimental Fidelities Accelerates Automated Discovery of Drug Molecules MA McDonald, BA Koscher, RB Canty, J Zhang, A Ning, KF Jensen ACS Central Science, 2025 | | 2025 |
| General Chemically Intuitive Atom-and Bond-level DFT Descriptors for Machine Learning Approaches to Reaction Condition Prediction M Nouman, RB Canty, BA Koscher, MA McDonald, KF Jensen | | 2024 |
| Data accompanying publication:" General Chemically Intuitive Atom-Level DFT Descriptors for Machine Learning Approaches to Reaction Condition Prediction" M Nouman, RB Canty, BA Koscher, MA McDonald, KF Jensen Zenodo, 2024 | | 2024 |
| Photo-Induced Bandgap Engineering of Metal Halide Perovskite Quantum Dots in Flow P Jha, N Mukhin, A Ghorai, H Morshedian, RB Canty, F Delgado-Licona, ... Advanced materials (Deerfield Beach, Fla.), e2419668, 2024 | | 2024 |
| Data Science and ML Approaches to Catalysis I: Catalyst Discovery P Bai, R Canty 2024 AIChE Annual Meeting, 2024 | | 2024 |
| Integrating Automation and Machine Learning for Accelerated Closed-Loop Molecular Discovery BA Koscher, RB Canty, MA McDonald, KF Jensen 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Automating the Search for New Drugs: From Prediction to Characterization and Back Again MA McDonald, B Koscher, R Canty, F Lee, K Jensen 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Molecular Discovery with Limited Human Input Using a Machine Learning Guided Automated Platform MA McDonald, B Koscher, RB Canty, SK Ha, C Bilodeau, KF Jensen 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Demonstration of Closed-Loop Machine-Learning Guided Experimental Platform for the Discovery of Novel Dye-like Compounds RB Canty, B Koscher, MA McDonald, SK Ha, KF Jensen 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Design of an Automatic Platform for Machine Learning Model Based Molecular Property Optimization MA McDonald, B Koscher, RB Canty, SK Ha, C Bilodeau, KP Greenman, ... 2022 AIChE Annual Meeting, 2022 | | 2022 |
