Continuous reactive crystallization of β-lactam antibiotics catalyzed by penicillin G acylase. Part II: Case study on ampicillin and product purity. - Matthew A. McDonald; Andreas S. Bommarius; Martha A. Grover; Ronald W. Rousseau (Comput. Chem. Eng., 2019)

Continuous reactive crystallization of β-lactam antibiotics catalyzed by penicillin G acylase. Part I: Model development. - Matthew A. McDonald; Andreas S. Bommarius; Ronald W. Rousseau; Martha A. Grover (Comput. Chem. Eng., 2019)

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; Matthew A. McDonald; Klavs F. Jensen (J. Chem. Inf. Model., 2025)