Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction

Ann E. Cleves, Stephen R. Johnson, Ajay N. Jain. Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction. Journal of Chemical Information and Computer Sciences, 61(12):5948-5966, 2021. [doi]

Authors

Ann E. Cleves

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Stephen R. Johnson

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Ajay N. Jain

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