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CASP16 group LG204 affinity submission

The affinity predictions that CASP16 group LG204 submitted for the chymase and autotaxin ligand series.

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Evaluations and results

1 evaluation · 9 results. Different protocols are not a single leaderboard.

Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants · Dataset: CASP16 affinity targets L1000 and L3000

Sorted by Kendall tau (target average as printed, computed per assay and weighted by compound count) (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.

Tested configuration	Kendall tau (target average as printed, computed per assay and weighted by compound count)	MAE (centered, computed per assay and averaged across assays weighted by compound count)	MAE (non-centered, computed per assay and averaged across assays weighted by compound count)	MAE (pairwise, target average as printed, computed per assay and weighted by compound count)	Pearson (target average as printed, computed per assay and weighted by compound count)	Proportion (within 1 kcal/mol, centered, computed per assay and averaged across assays weighted by compound count)	Proportion (within 1 kcal/mol, non-centered, computed per assay and averaged across assays weighted by compound count)	Proportion (within 2 kcal/mol, centered, computed per assay and averaged across assays weighted by compound count)	Proportion (within 2 kcal/mol, non-centered, computed per assay and averaged across assays weighted by compound count)
CASP16 group LG204 affinity submissionEvaluation	0.34	-	-	-	-	-	-	-	-

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Exact evaluated configurations and original reported results
Tested configuration	Protocol and dataset	Finding	Evidence and details
Configuration: CASP16 group LG204 affinity submission	Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants Dataset: CASP16 affinity targets L1000 and L3000	0.34 Kendall tau (target average as printed, computed per assay and weighted by compound count) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Result quoted from another source · Source checked Methods, coverage and source LG204 on the CASP16 affinity challenge uc-leadopt-20261022-protocol-boltz2-casp16 Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 14, row "LG204", column "Kendall tau", sub-column "target avg." (text-layer line 1750)
Configuration: CASP16 group LG204 affinity submission	Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants Dataset: CASP16 affinity targets L1000 and L3000	- MAE (centered, computed per assay and averaged across assays weighted by compound count) kilocalorie-per-mole · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Result quoted from another source · Source checked Methods, coverage and source LG204 on the CASP16 affinity challenge uc-leadopt-20261022-protocol-boltz2-casp16 Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 14, row "LG204", column "MAE", sub-column "cent." (text-layer line 1750)
Configuration: CASP16 group LG204 affinity submission	Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants Dataset: CASP16 affinity targets L1000 and L3000	- MAE (non-centered, computed per assay and averaged across assays weighted by compound count) kilocalorie-per-mole · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Result quoted from another source · Source checked Methods, coverage and source LG204 on the CASP16 affinity challenge uc-leadopt-20261022-protocol-boltz2-casp16 Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 14, row "LG204", column "MAE", sub-column "non-cent." (text-layer line 1750)
Configuration: CASP16 group LG204 affinity submission	Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants Dataset: CASP16 affinity targets L1000 and L3000	- Pearson (target average as printed, computed per assay and weighted by compound count) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Result quoted from another source · Source checked Methods, coverage and source LG204 on the CASP16 affinity challenge uc-leadopt-20261022-protocol-boltz2-casp16 Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 14, row "LG204", column "Pearson R", sub-column "target avg." (text-layer line 1750)
Configuration: CASP16 group LG204 affinity submission	Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants Dataset: CASP16 affinity targets L1000 and L3000	- MAE (pairwise, target average as printed, computed per assay and weighted by compound count) kilocalorie-per-mole · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Result quoted from another source · Source checked Methods, coverage and source LG204 on the CASP16 affinity challenge uc-leadopt-20261022-protocol-boltz2-casp16 Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 14, row "LG204", column "Pairwise MAE", sub-column "target avg." (text-layer line 1750)
Configuration: CASP16 group LG204 affinity submission	Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants Dataset: CASP16 affinity targets L1000 and L3000	- Proportion (within 1 kcal/mol, centered, computed per assay and averaged across assays weighted by compound count) fraction · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Result quoted from another source · Source checked Methods, coverage and source LG204 on the CASP16 affinity challenge uc-leadopt-20261022-protocol-boltz2-casp16 Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 14, row "LG204", column "Perc. within 1", sub-column "cent." (text-layer line 1750)
Configuration: CASP16 group LG204 affinity submission	Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants Dataset: CASP16 affinity targets L1000 and L3000	- Proportion (within 1 kcal/mol, non-centered, computed per assay and averaged across assays weighted by compound count) fraction · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Result quoted from another source · Source checked Methods, coverage and source LG204 on the CASP16 affinity challenge uc-leadopt-20261022-protocol-boltz2-casp16 Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 14, row "LG204", column "Perc. within 1", sub-column "non-cent." (text-layer line 1750)
Configuration: CASP16 group LG204 affinity submission	Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants Dataset: CASP16 affinity targets L1000 and L3000	- Proportion (within 2 kcal/mol, centered, computed per assay and averaged across assays weighted by compound count) fraction · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Result quoted from another source · Source checked Methods, coverage and source LG204 on the CASP16 affinity challenge uc-leadopt-20261022-protocol-boltz2-casp16 Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 14, row "LG204", column "Perc. within 2", sub-column "cent." (text-layer line 1750)
Configuration: CASP16 group LG204 affinity submission	Protocol: CASP16 affinity challenge, Boltz-2 against the top-ranked participants Dataset: CASP16 affinity targets L1000 and L3000	- Proportion (within 2 kcal/mol, non-centered, computed per assay and averaged across assays weighted by compound count) fraction · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Result quoted from another source · Source checked Methods, coverage and source LG204 on the CASP16 affinity challenge uc-leadopt-20261022-protocol-boltz2-casp16 Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 14, row "LG204", column "Perc. within 2", sub-column "non-cent." (text-layer line 1750)

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Release 2026-10-22-1b7cf027e4f6 · Record review: source checked

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Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Original source · bioRxiv v1 posted 2025-06-18; supplement PDF as deposited in Europe PMC PMC12262699 (PPR1038344)

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Technical metadata and extraction receipts

Stable ID: uc-leadopt-20261022-config-casp16-group-lg204

areas: molecular-interactions
contexts: research
configuration type: reported_configuration
reported name: LG204
version: CASP16 submission; no method version printed
source locator: Table 14, row 'LG204'
limitations: The supplement identifies this arm by its anonymous CASP16 group number only and says nothing about the method behind it.
missing metadata: access reuse: reason: unreported
review: method: source-hash-verification; pdf-text-parse; independent-cell-check; rendered-source-visual-check; ai-assisted-source-review; method note: Re-retrieved all three sources and matched each pinned SHA-256. Re-rendered the Boltz-2 supplement with pdftotext -layout (poppler 26.08.0) and matched the text layer's recorded SHA-256. Re-read all 256 cells with a parser written for this review that does not import the extraction script, matching each result to its cell through its own source_locator, and separately read appendix tables 11, 12 and 14 from PNG renderings of PDF pages 29 and 30 at 160 dpi, and Ross Table 3 from the pinned XML markup. Checked printed value, numeric value, locator, metric concept, qualifier, direction, unit, uncertainty and the linked configuration, protocol and dataset, and that every N/A or '-' cell is recorded as missing with a reason.; reviewer: claude; reviewer note: Claude review agent, independent of the extraction agent; no human review claimed; reviewed at: 2026-10-22T13:40:00Z; artifact sha256: be867a5d92add8b223d47d882a4213ad489741f3e4d5081a0901a54370342569; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC12262699/supplementaryFiles

Related records

configuration of: CASP16 group LG204
system: LG204 on the CASP16 affinity challenge

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