Configuration

Boltz-2 (ipTM) as a screening score

Ranks a compound library by interface predicted template modeling score, covering only inter-chain interactions taken from the predicted protein-ligand complex.

4 evaluations · 42 results

Overview

An explanatory profile has not yet been reviewed for this record.

Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.

Evaluations and results

4 evaluations · 42 results. Different protocols are not a single leaderboard.

Sorted by AUROC (AUROC, mean over the 16 GPCRrecent targets) (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	AUROC (AUROC, mean over the 16 GPCRrecent targets)	AUROC (AUROC, mean over the 6 GPCRrecent targets)	AUROC (AUROC, mean over the 79 DEKOIS 2.0 targets)	AUROC (AUROC, median over the 16 GPCRrecent targets)	AUROC (AUROC, median over the 6 GPCRrecent targets)	AUROC (AUROC, median over the 79 DEKOIS 2.0 targets)	Bedroc (BEDROC with alpha = 80.5, mean over the 16 GPCRrecent targets)	Bedroc (BEDROC with alpha = 80.5, mean over the 6 GPCRrecent targets)	Bedroc (BEDROC with alpha = 80.5, mean over the 79 DEKOIS 2.0 targets)	Bedroc (BEDROC with alpha = 80.5, median over the 16 GPCRrecent targets)	Bedroc (BEDROC with alpha = 80.5, median over the 6 GPCRrecent targets)	Bedroc (BEDROC with alpha = 80.5, median over the 79 DEKOIS 2.0 targets)	Enrichment factor (EF at the top 0.5% of the ranked library, mean over the 16 GPCRrecent targets)	Enrichment factor (EF at the top 0.5% of the ranked library, mean over the 6 GPCRrecent targets)	Enrichment factor (EF at the top 0.5% of the ranked library, mean over the 79 DEKOIS 2.0 targets)	Enrichment factor (EF at the top 0.5% of the ranked library, median over the 16 GPCRrecent targets)	Enrichment factor (EF at the top 0.5% of the ranked library, median over the 6 GPCRrecent targets)	Enrichment factor (EF at the top 0.5% of the ranked library, median over the 79 DEKOIS 2.0 targets)	Enrichment factor (EF at the top 1% of the ranked library, averaged over the five targets)	Enrichment factor (EF at the top 1% of the ranked library, LIT-PCBA target ESR_ago)	Enrichment factor (EF at the top 1% of the ranked library, LIT-PCBA target ESR_antago)	Enrichment factor (EF at the top 1% of the ranked library, LIT-PCBA target MAPK1)	Enrichment factor (EF at the top 1% of the ranked library, LIT-PCBA target PPARG)	Enrichment factor (EF at the top 1% of the ranked library, LIT-PCBA target TP53)	Enrichment factor (EF at the top 1% of the ranked library, mean over the 16 GPCRrecent targets)	Enrichment factor (EF at the top 1% of the ranked library, mean over the 6 GPCRrecent targets)	Enrichment factor (EF at the top 1% of the ranked library, mean over the 79 DEKOIS 2.0 targets)	Enrichment factor (EF at the top 1% of the ranked library, median over the 16 GPCRrecent targets)	Enrichment factor (EF at the top 1% of the ranked library, median over the 6 GPCRrecent targets)	Enrichment factor (EF at the top 1% of the ranked library, median over the 79 DEKOIS 2.0 targets)	Enrichment factor (EF at the top 5% of the ranked library, mean over the 16 GPCRrecent targets)	Enrichment factor (EF at the top 5% of the ranked library, mean over the 6 GPCRrecent targets)	Enrichment factor (EF at the top 5% of the ranked library, mean over the 79 DEKOIS 2.0 targets)	Enrichment factor (EF at the top 5% of the ranked library, median over the 16 GPCRrecent targets)	Enrichment factor (EF at the top 5% of the ranked library, median over the 6 GPCRrecent targets)	Enrichment factor (EF at the top 5% of the ranked library, median over the 79 DEKOIS 2.0 targets)	Normalized enrichment factor (NEF at the top 1% of the ranked library, averaged over the five targets)	Normalized enrichment factor (NEF at the top 1% of the ranked library, LIT-PCBA target ESR_ago)	Normalized enrichment factor (NEF at the top 1% of the ranked library, LIT-PCBA target ESR_antago)	Normalized enrichment factor (NEF at the top 1% of the ranked library, LIT-PCBA target MAPK1)	Normalized enrichment factor (NEF at the top 1% of the ranked library, LIT-PCBA target PPARG)	Normalized enrichment factor (NEF at the top 1% of the ranked library, LIT-PCBA target TP53)
Boltz-2 (ipTM) as a screening scoreEvaluation	GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3), GPCRrecent, 16 GPCR targets	0.738	Not reported	Not reported	0.73	Not reported	Not reported	0.236	Not reported	Not reported	0.198	Not reported	Not reported	14.6	Not reported	Not reported	12.9	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	12	Not reported	Not reported	9.3	Not reported	Not reported	5.7	Not reported	Not reported	5.03	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported
Boltz-2 (ipTM) as a screening scoreEvaluation	DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1), DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	Not reported	Not reported	0.86	Not reported	Not reported	0.894	Not reported	Not reported	0.56	Not reported	Not reported	0.618	Not reported	Not reported	19.2	Not reported	Not reported	22.1	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	18	Not reported	Not reported	19.1	Not reported	Not reported	10.3	Not reported	Not reported	11	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported
Boltz-2 (ipTM) as a screening scoreEvaluation	GPCRrecent screening (the six targets whose first structures postdate the Boltz-2 training cutoff) (Shen et al. 2025 Table 3), GPCRrecent, six targets after the Boltz-2 training cutoff	Not reported	0.717	Not reported	Not reported	0.699	Not reported	Not reported	0.23	Not reported	Not reported	0.201	Not reported	Not reported	15.8	Not reported	Not reported	13.6	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	12.6	Not reported	Not reported	10.9	Not reported	Not reported	5.17	Not reported	Not reported	4.84	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported
Boltz-2 (ipTM) as a screening scoreEvaluation	LIT-PCBA five-target screening (Shen et al. 2025 Table 4), LIT-PCBA five-target subset as scored by Shen et al. 2025	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	8.09	7.69	3.88	3.24	25.6	0	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	Not reported	0.089	0.077	0.078	0.032	0.259	0

All 42 result rows with coverage, uncertainty and sources

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Tested model or methodProtocolDatasetEvaluation setupMetricEvidence origin

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Exact evaluated configurations and original reported results
Tested configuration	Protocol and dataset	Finding	Evidence and details
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	0.86 AUROC (AUROC, mean over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'AUROC' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	0.894 AUROC (AUROC, median over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'AUROC' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	0.56 Bedroc (BEDROC with alpha = 80.5, mean over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'BEDROC (α = 80.5)' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	0.618 Bedroc (BEDROC with alpha = 80.5, median over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'BEDROC (α = 80.5)' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	19.2 Enrichment factor (EF at the top 0.5% of the ranked library, mean over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'EF0.5%' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	22.1 Enrichment factor (EF at the top 0.5% of the ranked library, median over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'EF0.5%' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	18 Enrichment factor (EF at the top 1% of the ranked library, mean over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'EF1%' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	19.1 Enrichment factor (EF at the top 1% of the ranked library, median over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'EF1%' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	10.3 Enrichment factor (EF at the top 5% of the ranked library, mean over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'EF5%' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: DEKOIS 2.0 screening with co-folding confidence scores against docking tools (Shen et al. 2025 Table 1) Dataset: DEKOIS 2.0, 79 targets as scored by Shen et al. 2025	11 Enrichment factor (EF at the top 5% of the ranked library, median over the 79 DEKOIS 2.0 targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on DEKOIS 2.0 (Shen et al. 2025 Table 1) hitdisc-20261022-protocol-shen-dekois-builtin Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 1, row 'Boltz-2 (ipTM)', column 'EF5%' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	0.738 AUROC (AUROC, mean over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'AUROC' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	0.73 AUROC (AUROC, median over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'AUROC' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	0.236 Bedroc (BEDROC with alpha = 80.5, mean over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'BEDROC (α = 80.5)' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	0.198 Bedroc (BEDROC with alpha = 80.5, median over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'BEDROC (α = 80.5)' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	14.6 Enrichment factor (EF at the top 0.5% of the ranked library, mean over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'EF0.5%' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	12.9 Enrichment factor (EF at the top 0.5% of the ranked library, median over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'EF0.5%' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	12 Enrichment factor (EF at the top 1% of the ranked library, mean over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'EF1%' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	9.3 Enrichment factor (EF at the top 1% of the ranked library, median over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'EF1%' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	5.7 Enrichment factor (EF at the top 5% of the ranked library, mean over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'EF5%' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (16 GPCR targets) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, 16 GPCR targets	5.03 Enrichment factor (EF at the top 5% of the ranked library, median over the 16 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-16 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM)', column 'EF5%' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (the six targets whose first structures postdate the Boltz-2 training cutoff) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, six targets after the Boltz-2 training cutoff	0.717 AUROC (AUROC, mean over the 6 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) subset on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-6 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM) subseta', column 'AUROC' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (the six targets whose first structures postdate the Boltz-2 training cutoff) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, six targets after the Boltz-2 training cutoff	0.699 AUROC (AUROC, median over the 6 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) subset on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-6 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM) subseta', column 'AUROC' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (the six targets whose first structures postdate the Boltz-2 training cutoff) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, six targets after the Boltz-2 training cutoff	0.23 Bedroc (BEDROC with alpha = 80.5, mean over the 6 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) subset on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-6 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM) subseta', column 'BEDROC (α = 80.5)' (Mean)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (the six targets whose first structures postdate the Boltz-2 training cutoff) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, six targets after the Boltz-2 training cutoff	0.201 Bedroc (BEDROC with alpha = 80.5, median over the 6 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) subset on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-6 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM) subseta', column 'BEDROC (α = 80.5)' (Med)
Configuration: Boltz-2 (ipTM) as a screening score	Protocol: GPCRrecent screening (the six targets whose first structures postdate the Boltz-2 training cutoff) (Shen et al. 2025 Table 3) Dataset: GPCRrecent, six targets after the Boltz-2 training cutoff	15.8 Enrichment factor (EF at the top 0.5% of the ranked library, mean over the 6 GPCRrecent targets) unitless · higher Uncertainty: Not reported by the source: The source prints no interval or spread for this value Coverage: Not reported scored / Not reported eligible	Author-reported evaluation · Source checked Methods, coverage and source Boltz-2 (ipTM) subset on GPCRrecent (Shen et al. 2025 Table 3) hitdisc-20261022-protocol-shen-gpcrrecent-6 Aggregation: Not reported Shen et al. 2025, Chemical Science (Europe PMC full text) · Table 3, row 'Boltz-2 (ipTM) subseta', column 'EF0.5%' (Mean)

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Shen et al. 2025, Chemical Science (Europe PMC full text) · Original source · PMC12704515 (Chem Sci, published 2025-12-11)

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Stable ID: hitdisc-20261022-config-boltz2-iptm

areas: molecular-interactions
contexts: research
method types: foundation_model
reported name: Boltz-2 (ipTM)
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: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC12704515/fullTextXML; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json
version: Boltz-2 version 2.0.0, the recommended single model with random seed 1, MMseqs2 web-service MSAs
access reuse: Source code at https://github.com/google-deepmind/alphafold3, https://github.com/bytedance/Protenix and https://github.com/jwohlwend/boltz (Data availability); no licence is stated in the source
parameters: All parameters other than the sample count and seed left at default or recommended values
score training overlap: Not assessed for this score by the source beyond the ligand-similarity analysis of Figure 5 and Fig. S10
source locator: Methods 'Complex structure prediction' and 'Scoring schemes'

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system: Boltz-2 (ipTM) subset on GPCRrecent (Shen et al. 2025 Table 3)
system: Boltz-2 (ipTM) on the LIT-PCBA five-target subset (Shen et al. 2025 Table 4)

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