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36153472
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios.
J Comput Aided Mol Des
36:
753
-
765
(2022)
Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd.
2D
3D
TSV
1162
Curated by BindingDB
Curated by ChEMBL