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Chemical Engineering and Industrial Chemistry

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Organic Chemistry

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Theoretical and Computational Chemistry

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Florence Vermeire

5 results in Authors: Florence Vermeire

Theoretical and Computational Chemistry

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

Version 2 posted 04 January 2022

1,002

Downloads

Theoretical and Computational Chemistry

Characterizing Uncertainty in Machine Learning for Chemistry

Esther Heid, Charles J. McGill, Florence H. Vermeire, William H. Green

Version 3 posted 17 May 2023

906

Downloads

Chemical Engineering and Industrial Chemistry

Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back

Brent Koscher, Richard B. Canty, Matthew A. McDonald, Kevin P. Greenman, Charles J. McGill, Camille L. Bilodeau, Wengong Jin, Haoyang Wu, Florence H. Vermeire, Brooke Jin, Travis Hart, Timothy Kulesza, Shih-Cheng Li, Tommi S. Jaakkola, Regina Barzilay, Rafael Gómez-Bombarelli, William H. Green, Klavs F Jensen

Version 1 posted 13 April 2023

2,551

Downloads

7

Citations

Theoretical and Computational Chemistry

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, Charles J. McGill

Version 3 posted 06 December 2023

5,314

Downloads

2

Citations

Chemical Engineering and Industrial Chemistry

Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures

Florence Vermeire, Yunsie Chung, William Green

Version 2 posted 08 June 2022

990

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