Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy. - Yunsie Chung; Florence H. Vermeire; Haoyang Wu; Pierre J. Walker; Michael H. Abraham; William H. Green Jr. (J. Chem. Inf. Model., 2022)

Modeling Cell Size Distribution With Heterogeneous Flux Balance Analysis. - Michiel Busschaert; Florence H. Vermeire; Steffen Waldherr (IEEE Control. Syst. Lett., 2023)

Characterizing Uncertainty in Machine Learning for Chemistry. - Esther Heid; Charles McGill; Florence H. Vermeire; William H. Green Jr. (J. Chem. Inf. Model., 2023)

SI-M/O: Swarm Intelligence-based Modeling and Optimization of complex synthesis reaction processes. - Min Wu; Ulderico Di Caprio; Furkan Elmaz; Florence H. Vermeire; Bert Metten; Olivier Van Der Ha; Dries De Clercq; Siegfried Mercelis; Peter Hellinckx; Leen Braeken; Mumin Enis Leblebici (Comput. Chem. Eng., 2023)

Chemprop: A Machine Learning Package for Chemical Property Prediction. - Esther Heid; Kevin P. Greenman; Yunsie Chung; Shih-Cheng Li; David E. Graff; Florence H. Vermeire; Haoyang Wu; William H. Green Jr.; Charles McGill (J. Chem. Inf. Model., 2024)