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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7459320/ https://www.ncbi.nlm.nih.gov/pubmed/32868845 http://dx.doi.org/10.1038/s41598-020-71255-9 |