A new descriptor pipeline based on persistent Stanley-Reisner invariants reports slightly better protein-ligand and metalloprotein-ligand affinity predictions than selected older models.
Metalprognet: a structure-based deep graph model for metalloprotein–ligand interaction predictions
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CAML: Commutative algebra machine learning -- a case study on protein-ligand binding affinity prediction
A new descriptor pipeline based on persistent Stanley-Reisner invariants reports slightly better protein-ligand and metalloprotein-ligand affinity predictions than selected older models.