Binding affinity predictions with hybrid quantum-classical convolutional neural networks
Abstract Central in drug design is the identification of biomolecules that uniquely and robustly bind to a target protein, while minimizing their interactions with others. Accordingly, precise binding affinity prediction, enabling the accurate selection of suitable candidates from an extensive pool...
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| Главные авторы: | , , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Nature Portfolio
2023-10-01
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| Серии: | Scientific Reports |
| Online-ссылка: | https://doi.org/10.1038/s41598-023-45269-y |
| Метки: |
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