A structured literature review arguing that 3D geometric deep learning is maturing into end-to-end rational design of multi-target (polypharmacological) drugs.
Targeting protein– ligand neosurfaces with a generalizable deep learning tool
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Beyond SBDD: Geometric Deep Learning in Polypharmacology and Multi-target Drug Design
A structured literature review arguing that 3D geometric deep learning is maturing into end-to-end rational design of multi-target (polypharmacological) drugs.