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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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Podrobná bibliografie
Vydáno v:Sci Rep
Hlavní autoři: Chaube, Suryanaman, Goverapet Srinivasan, Sriram, Rai, Beena
Médium: Artigo
Jazyk:Inglês
Vydáno: Nature Publishing Group UK 2020
Témata:
On-line přístup: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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