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Expanding Training Data for Structure-Based Receptor–Ligand Binding Affinity Regression through Imputation of Missing Labels
[Image: see text] The success of machine learning is, in part, due to a large volume of data available to train models. However, the amount of training data for structure-based molecular property prediction remains limited. The previously described CrossDocked2020 data set expanded the available tra...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10634251/ https://www.ncbi.nlm.nih.gov/pubmed/37970017 http://dx.doi.org/10.1021/acsomega.3c05931 |