Alexander Shapeev (Ligand Pro

1 article on SOTA Papers

Computer Science

Six-Stage Filtering Exposes Weak Drug Generators

HEDGEHOG runs generated molecules through medicinal-chemistry, synthesis, docking, and 3D pose checks, leaving only 0.65% of 230,000 candidates.

cs.LGcs.SE
Jul 28, 20265 min2607.13155 Code available