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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Matthew B. Soellner

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Jul 2026

Real-World Assessment of Machine-Learned Docking Using Bioassay-Derived Benchmarks

This work systematically evaluates the performance of a popular ML-based docking method, DiffDock-Pocket, on high-throughput screening (HTS) data sets derived from the PubChem BioAssay database, a premier source of bioactivity data.

Furyal Ahmed, M. Soellner, Charles L. Brooks · 0 citations

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