Matthew A McDonald
6PUBLICATIONS
22CO-AUTHORS
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Publications (6)
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|Jun 17, 2025
General Chemically Intuitive Atom- and Bond-Level DFT Descriptors for Machine Learning Approaches to Reaction Condition Prediction.Miguel Nouman, Richard B Canty, Brent A Koscher
|Mar 03, 2025
Bayesian Optimization over Multiple Experimental Fidelities Accelerates Automated Discovery of Drug Molecules.Matthew A McDonald, Brent A Koscher, Richard B Canty
|Jul 05, 2024
Calibration-free reaction yield quantification by HPLC with a machine-learning model of extinction coefficients.Matthew A McDonald, Brent A Koscher, Richard B Canty
|Dec 21, 2023
Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back.Brent A Koscher, Richard B Canty, Matthew A McDonald
|Feb 27, 2023
Open-Source Chromatographic Data Analysis for Reaction Optimization and Screening.Christian P Haas, Maximilian Lübbesmeyer, Edward H Jin
|May 07, 2021
Modeling Amyloid Aggregation Kinetics: A Case Study with Sup35NM.Aditi Sharma, Matthew A McDonald, Harrison B Rose
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Frequent Collaborators
5 joint publications
Klavs F Jensen
4 joint publications
Richard B Canty
3 joint publications
Brent A Koscher
1 joint publications
Andreas S Bommarius
1 joint publications
Christian P Haas
1 joint publications
Edward H Jin
1 joint publications
Nicolas Guimond
1 joint publications
Samuel Leweke
1 joint publications
David M Barber
1 joint publications
Julius Hillenbrand
