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3d pose validation 1benchmarking 1docking 1generative models 1molecular generation 1synthetic accessibility 1

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20242026
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cs.LG2026

HEDGEHOG: Hierarchical Evaluation of Drug Generators Through Rigorous Filtration

Daria A. Ryabchenko, Pavel Gurevich, Shamil Kadyrov +5

The paper introduces HEDGEHOG, a six‑stage filtration benchmark that mimics industrial hit‑identification workflows to rigorously evaluate generative molecular models for drug disc…