Configuration

FEP+ with per-system manual protocol adjustment

FEP+ applied with the input preparation, perturbation map and force field adjusted by hand for each system after the error against experiment has been seen.

3 evaluations · 25 results

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Evaluations and results

3 evaluations · 25 results. Different protocols are not a single leaderboard.

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	Protocol and dataset	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)	Accelerator time (per-method cost as printed beside the accuracy columns)	Kendall tau (of the cycle-closure-corrected absolute free energies, weighted mean over series, weight equal to compound count)	MAE (edgewise mean unsigned error, weighted mean over FEP graphs, weight equal to edge count)	MAE (pairwise mean unsigned error, weighted mean over series, weight equal to compound count)	R² (of the cycle-closure-corrected absolute free energies, weighted mean over series, weight equal to compound count)	RMSE (edgewise, weighted mean over FEP graphs, weight equal to edge count)	RMSE (pairwise, weighted mean over series, weight equal to compound count)
FEP+ with per-system manual protocol adjustmentEvaluation	FEP+ benchmark four-target subset, affinity ranking and cost, Four-target subset of the public FEP benchmark	0.63 (best in column)	0.53 (best in column)	N/A	0.77 (best in column)	0.78 (best in column)	0.85 (best in column)	N/A	1 (best in column)	N/A	-	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported
FEP+ with per-system manual protocol adjustmentEvaluation	FEP+ benchmark OpenFE subset, affinity ranking, OpenFE subset of the public FEP benchmark	0.53	0.64	N/A	0.94	0.72	0.79	N/A	0.97	N/A	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported
FEP+ with per-system manual protocol adjustmentEvaluation	Public FEP benchmark, FEP+ accuracy against experiment, Curated public FEP benchmark compounds (Ross et al. 2023)	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	0.51 [0.48, 0.55]	0.91 [0.84, 0.98]	0.98 [0.91, 1.05]	0.56 [0.51, 0.60]	1.17 [1.08, 1.25]	1.25 [1.17, 1.33]

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Exact evaluated configurations and original reported results
Tested configuration	Protocol and dataset	Finding	Evidence and details
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: Public FEP benchmark, FEP+ accuracy against experiment Dataset: Curated public FEP benchmark compounds (Ross et al. 2023)	0.91 [0.84, 0.98] MAE (edgewise mean unsigned error, weighted mean over FEP graphs, weight equal to edge count) kilocalorie-per-mole · lower Uncertainty: 95% CI 0.84 to 0.98. 95% confidence interval from bootstrap sampling over the pairs of experimental series or FEP+ graphs (Table 3 legend) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source FEP+ on the curated public FEP benchmark uc-leadopt-20261022-protocol-ross-fep-plus Aggregation: Not reported The maximal and current accuracy of rigorous protein-ligand binding free energy calculations · Table 3, row "Edgewise MUE (kcal mol−1)", column "FEP+ benchmark"
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: Public FEP benchmark, FEP+ accuracy against experiment Dataset: Curated public FEP benchmark compounds (Ross et al. 2023)	1.17 [1.08, 1.25] RMSE (edgewise, weighted mean over FEP graphs, weight equal to edge count) kilocalorie-per-mole · lower Uncertainty: 95% CI 1.08 to 1.25. 95% confidence interval from bootstrap sampling over the pairs of experimental series or FEP+ graphs (Table 3 legend) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source FEP+ on the curated public FEP benchmark uc-leadopt-20261022-protocol-ross-fep-plus Aggregation: Not reported The maximal and current accuracy of rigorous protein-ligand binding free energy calculations · Table 3, row "Edgewise RMSE (kcal mol−1)", column "FEP+ benchmark"
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: Public FEP benchmark, FEP+ accuracy against experiment Dataset: Curated public FEP benchmark compounds (Ross et al. 2023)	0.51 [0.48, 0.55] Kendall tau (of the cycle-closure-corrected absolute free energies, weighted mean over series, weight equal to compound count) unitless · higher Uncertainty: 95% CI 0.48 to 0.55. 95% confidence interval from bootstrap sampling over the pairs of experimental series or FEP+ graphs (Table 3 legend) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source FEP+ on the curated public FEP benchmark uc-leadopt-20261022-protocol-ross-fep-plus Aggregation: Not reported The maximal and current accuracy of rigorous protein-ligand binding free energy calculations · Table 3, row "Kendall τ", column "FEP+ benchmark"
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: Public FEP benchmark, FEP+ accuracy against experiment Dataset: Curated public FEP benchmark compounds (Ross et al. 2023)	0.98 [0.91, 1.05] MAE (pairwise mean unsigned error, weighted mean over series, weight equal to compound count) kilocalorie-per-mole · lower Uncertainty: 95% CI 0.91 to 1.05. 95% confidence interval from bootstrap sampling over the pairs of experimental series or FEP+ graphs (Table 3 legend) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source FEP+ on the curated public FEP benchmark uc-leadopt-20261022-protocol-ross-fep-plus Aggregation: Not reported The maximal and current accuracy of rigorous protein-ligand binding free energy calculations · Table 3, row "Pairwise MUE (kcal mol−1)", column "FEP+ benchmark"
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: Public FEP benchmark, FEP+ accuracy against experiment Dataset: Curated public FEP benchmark compounds (Ross et al. 2023)	1.25 [1.17, 1.33] RMSE (pairwise, weighted mean over series, weight equal to compound count) kilocalorie-per-mole · lower Uncertainty: 95% CI 1.17 to 1.33. 95% confidence interval from bootstrap sampling over the pairs of experimental series or FEP+ graphs (Table 3 legend) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source FEP+ on the curated public FEP benchmark uc-leadopt-20261022-protocol-ross-fep-plus Aggregation: Not reported The maximal and current accuracy of rigorous protein-ligand binding free energy calculations · Table 3, row "Pairwise RMSE (kcal mol−1)", column "FEP+ benchmark"
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: Public FEP benchmark, FEP+ accuracy against experiment Dataset: Curated public FEP benchmark compounds (Ross et al. 2023)	0.56 [0.51, 0.60] R² (of the cycle-closure-corrected absolute free energies, weighted mean over series, weight equal to compound count) unitless · higher Uncertainty: 95% CI 0.51 to 0.60. 95% confidence interval from bootstrap sampling over the pairs of experimental series or FEP+ graphs (Table 3 legend) Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source FEP+ on the curated public FEP benchmark uc-leadopt-20261022-protocol-ross-fep-plus Aggregation: Not reported The maximal and current accuracy of rigorous protein-ligand binding free energy calculations · Table 3, row "R2", column "FEP+ benchmark"
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark OpenFE subset, affinity ranking Dataset: OpenFE subset of the public FEP benchmark	0.53 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark OpenFE subset uc-leadopt-20261022-protocol-boltz2-fep-openfe-subset Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 11, row "FEP+", column "Kendall tau", sub-column "target avg." (text-layer line 1695)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark OpenFE subset, affinity ranking Dataset: OpenFE subset of the public FEP benchmark	0.64 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark OpenFE subset uc-leadopt-20261022-protocol-boltz2-fep-openfe-subset Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 11, row "FEP+", column "MAE", sub-column "cent." (text-layer line 1695)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark OpenFE subset, affinity ranking Dataset: OpenFE subset of the public FEP benchmark	N/A 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark OpenFE subset uc-leadopt-20261022-protocol-boltz2-fep-openfe-subset Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 11, row "FEP+", column "MAE", sub-column "non-cent." (text-layer line 1695)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark OpenFE subset, affinity ranking Dataset: OpenFE subset of the public FEP benchmark	0.72 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark OpenFE subset uc-leadopt-20261022-protocol-boltz2-fep-openfe-subset Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 11, row "FEP+", column "Pearson R", sub-column "target avg." (text-layer line 1695)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark OpenFE subset, affinity ranking Dataset: OpenFE subset of the public FEP benchmark	0.94 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark OpenFE subset uc-leadopt-20261022-protocol-boltz2-fep-openfe-subset Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 11, row "FEP+", column "PMAE", sub-column "target avg." (text-layer line 1695)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark OpenFE subset, affinity ranking Dataset: OpenFE subset of the public FEP benchmark	0.79 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark OpenFE subset uc-leadopt-20261022-protocol-boltz2-fep-openfe-subset Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 11, row "FEP+", column "Perc. within 1", sub-column "cent." (text-layer line 1695)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark OpenFE subset, affinity ranking Dataset: OpenFE subset of the public FEP benchmark	N/A 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark OpenFE subset uc-leadopt-20261022-protocol-boltz2-fep-openfe-subset Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 11, row "FEP+", column "Perc. within 1", sub-column "non-cent." (text-layer line 1695)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark OpenFE subset, affinity ranking Dataset: OpenFE subset of the public FEP benchmark	0.97 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark OpenFE subset uc-leadopt-20261022-protocol-boltz2-fep-openfe-subset Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 11, row "FEP+", column "Perc. within 2", sub-column "cent." (text-layer line 1695)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark OpenFE subset, affinity ranking Dataset: OpenFE subset of the public FEP benchmark	N/A 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark OpenFE subset uc-leadopt-20261022-protocol-boltz2-fep-openfe-subset Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 11, row "FEP+", column "Perc. within 2", sub-column "non-cent." (text-layer line 1695)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	0.63 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "Kendall tau", sub-column "target avg." (text-layer line 1711)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	0.53 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "MAE", sub-column "cent." (text-layer line 1711)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	N/A 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "MAE", sub-column "non-cent." (text-layer line 1711)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	0.78 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "Pearson R", sub-column "target avg." (text-layer line 1711)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	0.77 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "PMAE", sub-column "target avg." (text-layer line 1711)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	- Accelerator time (per-method cost as printed beside the accuracy columns) unit-unreported · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "time" (text-layer line 1711)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	0.85 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "Perc. within 1", sub-column "cent." (text-layer line 1711)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	N/A 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "Perc. within 1", sub-column "non-cent." (text-layer line 1711)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	1 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "Perc. within 2", sub-column "cent." (text-layer line 1711)
Configuration: FEP+ with per-system manual protocol adjustment	Protocol: FEP+ benchmark four-target subset, affinity ranking and cost Dataset: Four-target subset of the public FEP benchmark	N/A 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	Evaluation origin not reported · Source checked Methods, coverage and source FEP+ on the FEP+ benchmark four-target subset uc-leadopt-20261022-protocol-boltz2-fep-4target Aggregation: Not reported Boltz-2: Towards Accurate and Efficient Binding Affinity Prediction, supplementary appendix · Table 12, row "FEP+", column "Perc. within 2", sub-column "non-cent." (text-layer line 1711)

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

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The maximal and current accuracy of rigorous protein-ligand binding free energy calculations · Original source · Communications Chemistry 6:222 (2023); Europe PMC full-text XML snapshot PMC10576784
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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Stable ID: uc-leadopt-20261022-config-fep-plus

areas: molecular-interactions
contexts: research
method types: conventional_pipeline
configuration type: reported_configuration
reported name: FEP+
version: As benchmarked in Ross et al. 2023; no FEP+ release printed
access reuse: Commercial Schrodinger licence required.
source locator: Ross et al. 2023 Table 3 and Results; Boltz-2 supplement Tables 11 and 12, row 'FEP+'
limitations: The protocol was tuned per system after seeing the error against experiment, so the reported accuracy is maximum-attainable rather than prospective.; The Boltz-2 supplement does not state whether its FEP+ values were re-run or taken from the per-system results published with Ross et al. 2023.
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: f371d2e373306588d11b695b8de21b253a90293d6a15884f635bcf927bdebb1d; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC10576784/fullTextXML

Related records

configuration of: FEP+
subject: FEP+ protocol tuned per system after seeing the error against experiment
system: FEP+ on the curated public FEP benchmark
system: FEP+ on the FEP+ benchmark OpenFE subset
system: FEP+ on the FEP+ benchmark four-target subset

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