Leak proof PDBBind: A reorganized dataset of protein-ligand complexes for more generalizable binding affinity prediction

J Li, X Guan, O Zhang, K Sun, Y Wang, D Bagni… - arXiv preprint arXiv …, 2023 - arxiv.org
Many physics-based and machine-learned scoring functions (SFs) used to predict protein-
ligand binding free energies have been trained on the PDBBind dataset. However, it is …
被引用次数：9 相关文章

Leak Proof PDBBind: A Reorganized Dataset of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction

J Li, X Guan, O Zhang, K Sun, Y Wang, D Bagni… - ArXiv - ncbi.nlm.nih.gov
Many physics-based and machine-learned scoring functions (SFs) used to predict protein-
ligand binding free energies have been trained on the PDBBind dataset. However, it is …

Leak Proof PDBBind: A Reorganized Dataset of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction

J Li, X Guan, O Zhang, K Sun, Y Wang… - arXiv e …, 2023 - ui.adsabs.harvard.edu
Many physics-based and machine-learned scoring functions (SFs) used to predict protein-
ligand binding free energies have been trained on the PDBBind dataset. However, it is …

Leak Proof PDBBind: A Reorganized Dataset of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction

J Li, X Guan, O Zhang, K Sun, Y Wang, D Bagni… - ArXiv, 2024 - pubmed.ncbi.nlm.nih.gov
Many physics-based and machine-learned scoring functions (SFs) used to predict protein-
ligand binding free energies have been trained on the PDBBind dataset. However, it is …