Ensembling methods for protein-ligand binding affinity prediction
Abstract Protein-ligand binding affinity prediction is a key element of computer-aided drug discovery. Most of the existing deep learning methods for protein-ligand binding affinity prediction utilize single models and suffer from low accuracy and generalization capability. In this paper, we train 1...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-10-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-024-72784-3 |
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