| 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 | 156 | 2023 |
| Reactive crystallization: a review MA McDonald, H Salami, PR Harris, CE Lagerman, X Yang, ... Reaction chemistry & engineering 6 (3), 364-400, 2021 | 101 | 2021 |
| In Situ Imaging Combined with Deep Learning for Crystallization Process Monitoring: Application to Cephalexin Production H Salami, MA McDonald, AS Bommarius, RW Rousseau, MA Grover Organic process research & development 25 (7), 1670-1679, 2021 | 56 | 2021 |
| Continuous reactive crystallization of β-lactam antibiotics catalyzed by penicillin G acylase. Part I: Model development MA McDonald, AS Bommarius, RW Rousseau, MA Grover Computers & Chemical Engineering 123, 331-343, 2019 | 47 | 2019 |
| Enzymatic reactive crystallization for improving ampicillin synthesis MA McDonald, AS Bommarius, RW Rousseau Chemical Engineering Science 165, 81-88, 2017 | 45 | 2017 |
| Open-source chromatographic data analysis for reaction optimization and screening CP Haas, M Lubbesmeyer, EH Jin, MA McDonald, BA Koscher, ... ACS central science 9 (2), 307-317, 2023 | 31 | 2023 |
| Course-based undergraduate research experiences are a viable approach to increase access to research experiences in biology KPW Smith, EA Waddell, AN Dean, S Anandan, S Gurney, K Kabnick, ... Journal of Biological Education 57 (3), 618-632, 2023 | 28 | 2023 |
| Kinetic model discrimination of penicillin G acylase thermal deactivation by non-isothermal continuous activity assay MA McDonald, L Bromig, MA Grover, RW Rousseau, AS Bommarius Chemical Engineering Science 187, 79-86, 2018 | 28 | 2018 |
| Crystallization kinetics of cephalexin monohydrate in the presence of cephalexin precursors MA McDonald, GD Marshall, AS Bommarius, MA Grover, RW Rousseau Crystal growth & design 19 (9), 5065-5074, 2019 | 25 | 2019 |
| Integrating autonomy into automated research platforms RB Canty, BA Koscher, MA McDonald, KF Jensen Digital discovery 2 (5), 1259-1268, 2023 | 23 | 2023 |
| Continuous reactive crystallization of β-lactam antibiotics catalyzed by penicillin G acylase. Part II: Case study on ampicillin and product purity MA McDonald, AS Bommarius, MA Grover, RW Rousseau Computers & Chemical Engineering 126, 332-341, 2019 | 22 | 2019 |
| Model development for enzymatic reactive crystallization of β-lactam antibiotics: a reaction–diffusion-crystallization approach H Salami, CE Lagerman, PR Harris, MA McDonald, AS Bommarius, ... Reaction chemistry & engineering 5 (11), 2064-2080, 2020 | 17 | 2020 |
| 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 15 (26), 10092-10100, 2024 | 16 | 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 11 (2), 346-356, 2025 | 12 | 2025 |
| Direct observation of growth rate dispersion in the enzymatic reactive crystallization of ampicillin MA McDonald, AS Bommarius, MA Grover, RW Rousseau Processes 7 (6), 390, 2019 | 9 | 2019 |
| Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back. Science 382, eadi1407 BA Koscher, RB Canty, MA McDonald, KP Greenman, CJ McGill, ... | 6 | 2023 |
| Modeling amyloid aggregation kinetics: a case study with Sup35NM A Sharma, MA McDonald, HB Rose, YO Chernoff, SH Behrens, ... The Journal of Physical Chemistry B 125 (19), 4955-4963, 2021 | 5 | 2021 |
| Magnetic separation of immobilized biocatalyst enables continuous manufacturing with a solids-forming reaction CE Lagerman, GD Marshall, MA McDonald, PR Harris, MA Grover, ... Reaction chemistry & engineering 8 (9), 2323-2331, 2023 | 3 | 2023 |
| 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 Journal of Chemical Information and Modeling 65 (13), 6499-6512, 2025 | 2 | 2025 |
| 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 |
