Boltz-2 pIC50 (Kim, Correy, Hall et al. 2026 hit-list re-ranking)
Ranks a compound library by the pIC50 that Boltz-2's affinity module predicts for the protein-ligand pair.
Overview
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Evaluations and results
3 evaluations · 3 results. Different protocols are not a single leaderboard.
Sorted by AUROC (Discrimination of measured binders from high-ranking docking false positives in the tested AmpC beta-lactamase hit list) (higher is better). The best value in each column is highlighted. Decimals are rounded for display; each value links to the printed value and its source.
All 3 result rows with coverage, uncertainty and sources
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How it works, versions and access
Strengths, limitations and unresolved questions
Evidence
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Evidence table
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Sources and history
Release 2026-10-22-1b7cf027e4f6 · Record review: source checked
1 source record and release history
- Kim, Correy, Hall et al. 2026, eLife 15:RP110475 (Europe PMC full text) · Original source · PMC13657626 (eLife 2026;15:RP110475, version of record published 2026-10-12)
Technical metadata and extraction receipts
Stable ID: hitdisc-20261022-config-kim-boltz2-pic50
- areas
- molecular-interactions
- contexts
- research
- method types
- foundation_model
- reported name
- Boltz-2 pIC50
- configuration type
- paper_evaluation
- foundation model eligible
- true
- review
- method: scope-review; automated-source-review; reviewer: claude; reviewer note: Claude review agent, independent of the extraction agent; no human review claimed; date: 2026-10-22; method note: Read the record against the pinned sources and against docs/use-cases.md and docs/record-contract.md.; note: Record checked against the pinned source and the record contract. Transcription checked; not reproduced and not reviewed by a human scientist.; artifact sha256: 9be510b7b0cc152ff56a03c96877bf06b6a6bdeffdb4baecf8e999a6bf155aa6; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC13657626/fullTextXML; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json
- missing metadata
- version: reason: unreported; note: The source cites the tool's repository but states no version or release for it
- access reuse
- Repositories named in Methods 'Co-folding'; input and analysis scripts at https://github.com/jongbin99/cofold-em
- hardware
- accelerator: NVIDIA A40 GPUs
- score training overlap
- Training cutoffs stated for the Mac1 arm: Chai-1 entries deposited before 2021-12-01, AlphaFold3 before 2021-09-30, Boltz-2 2023-06-01. No training-overlap control is stated for the three docking hit lists.
- source locator
- Methods 'Co-folding'; Methods 'Molecular docking of Mac1 compounds'
Related records
- configuration of: Boltz-2
- system: Boltz-2 pIC50 re-ranking the AmpC beta-lactamase docking hit list (Kim, Correy, Hall et al. 2026)
- system: Boltz-2 pIC50 re-ranking the dopamine D4 receptor docking hit list (Kim, Correy, Hall et al. 2026)
- system: Boltz-2 pIC50 re-ranking the sigma-2 receptor docking hit list (Kim, Correy, Hall et al. 2026)