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Applied machine learning for predicting the lanthanide-ligand binding affinities
Binding affinities of metal–ligand complexes are central to a multitude of applications like drug design, chelation therapy, designing reagents for solvent extraction etc. While state-of-the-art molecular modelling approaches are usually employed to gather structural and chemical insights about the...
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| Publié dans: | Sci Rep |
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| Auteurs principaux: | , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Publishing Group UK
2020
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7459320/ https://ncbi.nlm.nih.gov/pubmed/32868845 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-71255-9 |
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