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Table 2 Summary of PDBbind datasets used to validate our model

From: The algebraic extended atom-type graph-based model for precise ligand–receptor binding affinity prediction

Datasets

Training sets

Test set

Refined set

General set

Core set

CASF-2013 benchmark

3516

11713

195

CASF-2016 Benchmark

3772

12998

285

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Journal of Cheminformatics

ISSN: 1758-2946

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