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Improving the accuracy of the FMO binding affinity prediction of ligand-receptor complexes containing metals.
Roberto Paciotti
Alessandro Marrone
Cecilia Coletti
Nazzareno Re
Published in:
J. Comput. Aided Mol. Des. (2023)
Keyphrases
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prediction accuracy
high accuracy
improve the prediction accuracy
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prediction algorithm
computational cost
classification accuracy
drug discovery
computational complexity
high throughput
inter frame
prediction error