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 | 25 | 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 | 6 | 2024 |
Integrating autonomy into automated research platforms RB Canty, BA Koscher, MA McDonald, KF Jensen Digital Discovery 2 (5), 1259-1268, 2023 | 4 | 2023 |
Sharing reproducible synthesis recipes RB Canty, KF Jensen Nature Synthesis 3 (4), 428-429, 2024 | 1 | 2024 |
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 | | 2024 |
Autonomous experimentation for molecular discovery applications RB Canty Massachusetts Institute of Technology, 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 |