"RosENet: Improving Binding Affinity Prediction by Leveraging Molecular ..."

Hussein Hassan-Harrirou, Ce Zhang, Thomas Lemmin (2020)

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DOI: 10.1021/ACS.JCIM.0C00075

access: closed

type: Journal Article

metadata version: 2021-06-01

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Hussein Hassan-Harrirou, Ce Zhang, Thomas Lemmin:
RosENet: Improving Binding Affinity Prediction by Leveraging Molecular Mechanics Energies with an Ensemble of 3D Convolutional Neural Networks. J. Chem. Inf. Model. 60(6): 2791-2802 (2020)

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