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A D3R prospective evaluation of machine learning for protein-ligand scoring.

, , , and . J. Comput. Aided Mol. Des., 30 (9): 761-771 (2016)

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Generating 3D Molecular Structures Conditional on a Receptor Binding Site with Deep Generative Models., , and . CoRR, (2020)Protein-Ligand Scoring with Convolutional Neural Networks., , , , and . CoRR, (2016)A D3R prospective evaluation of machine learning for protein-ligand scoring., , , and . J. Comput. Aided Mol. Des., 30 (9): 761-771 (2016)Adversarial Consistency for Single Domain Generalization in Medical Image Segmentation., , , , , and . MICCAI (8), volume 13437 of Lecture Notes in Computer Science, page 671-681. Springer, (2022)Learning a Continuous Representation of 3D Molecular Structures with Deep Generative Models., , and . CoRR, (2020)GNINA 1.0: molecular docking with deep learning., , , , , , , and . J. Cheminformatics, 13 (1): 43 (2021)Generating 3D Molecules Conditional on Receptor Binding Sites with Deep Generative Models., , and . CoRR, (2021)Protein-Ligand Scoring with Convolutional Neural Networks., , , , and . J. Chem. Inf. Model., 57 (4): 942-957 (2017)Visualizing Convolutional Neural Network Protein-Ligand Scoring., , , , and . CoRR, (2018)Ligand Pose Optimization with Atomic Grid-Based Convolutional Neural Networks., , and . CoRR, (2017)