Florence H. Vermeire

Chemprop: A Machine Learning Package for Chemical Property Prediction

Esther Heid, Kevin P. Greenman, Yunsie Chung et al. · Journal of Chemical Information and Modeling · 2023 · 422 citations · Full text

Engineering, Machine Learning, Physic Aware Machine Learning +15

Challenges and opportunities of light olefin production via thermal and catalytic pyrolysis of end-of-life polyolefins: Towards full recyclability

Mehrdad Seifali Abbas‐Abadi, Yannick Ureel, Andreas Eschenbacher et al. · Progress in Energy and Combustion Science · 2023 · 186 citations · Full text

Transfer learning for solvation free energies: From quantum chemistry to experiments

Florence H. Vermeire, William H. Green · Chemical Engineering Journal · 2021 · 175 citations · Full text

Quantum Science, Engineering, Physics +8

Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy

Yunsie Chung, Florence H. Vermeire, Haoyang Wu et al. · Journal of Chemical Information and Modeling · 2022 · 153 citations · Full text

Autonomous, multiproperty-driven molecular discovery: From predictions to measurements and back

Brent A. Koscher, Richard B. Canty, Matthew A. McDonald et al. · Science · 2023 · 126 citations

Engineering, Molecular Biology, Computational Chemistry +18