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Dynamic applicability domain (dAD): compound–target binding affinity estimates with local conformal prediction
MOTIVATION: Increasing efforts are being made in the field of machine learning to advance the learning of robust and accurate models from experimentally measured data and enable more efficient drug discovery processes. The prediction of binding affinity is one of the most frequent tasks of compound...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Oxford University Press
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10457664/ https://www.ncbi.nlm.nih.gov/pubmed/37594752 http://dx.doi.org/10.1093/bioinformatics/btad465 |