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Dataset

SJC test split

Dataset and cohort used in the cited comparison. Dataset population counts do not establish successful prediction coverage.

Dataset and evaluation context

A dataset supplies biological observations. The evaluation protocol defines how those observations are split, used and scored.

Evaluation results

Release 2026-09-17-d277315f7d76 · 4 evaluations · 16 metric rows. Different protocols are not a single leaderboard.

Results grouped by the exact reported evaluation
Metric and findingCoverage and uncertaintyEvidence
CLAPE-SMB: SJC test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Author-reported evaluation · Evaluation metadata: needs review

0.651 ± 0.016 Precision

Unit: unitless · Direction: higher

Uncertainty: printed: 0.016; value: 0.016; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 5 CLAPE-SMB, column 3: SJC test split Precision

Source checking is not independent reproduction.

0.529 ± 0.004 MCC

Unit: unitless · Direction: higher

Uncertainty: printed: 0.004; value: 0.004; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 5 CLAPE-SMB, column 4: SJC test split MCC

Source checking is not independent reproduction.

0.915 ± 0.002 AUROC

Unit: unitless · Direction: higher

Uncertainty: printed: 0.002; value: 0.002; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 5 CLAPE-SMB, column 5: SJC test split AUROC

Source checking is not independent reproduction.

0.456 ± 0.006 Recall

Unit: unitless · Direction: higher

Uncertainty: printed: 0.006; value: 0.006; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall

Source checking is not independent reproduction.

P2Rank: SJC test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Independent external evaluation · Evaluation metadata: needs review

0.660 Recall

Unit: unitless · Direction: higher

Uncertainty: unreported

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall

Source checking is not independent reproduction.

0.293 MCC

Unit: unitless · Direction: higher

Uncertainty: unreported

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 2 P2Rank, column 4: SJC test split MCC

Source checking is not independent reproduction.

N/A AUROC

Unit: unitless · Direction: higher

Uncertainty: unreported

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 2 P2Rank, column 5: SJC test split AUROC

Source checking is not independent reproduction.

0.180 Precision

Unit: unitless · Direction: higher

Uncertainty: unreported

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 2 P2Rank, column 3: SJC test split Precision

Source checking is not independent reproduction.

GraphBind: SJC test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Independent external evaluation · Evaluation metadata: needs review

0.486 ± 0.005 MCC

Unit: unitless · Direction: higher

Uncertainty: printed: 0.005; value: 0.005; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 3 GraphBind, column 4: SJC test split MCC

Source checking is not independent reproduction.

0.906 ± 0.003 AUROC

Unit: unitless · Direction: higher

Uncertainty: printed: 0.003; value: 0.003; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 3 GraphBind, column 5: SJC test split AUROC

Source checking is not independent reproduction.

0.568 ± 0.024 Recall

Unit: unitless · Direction: higher

Uncertainty: printed: 0.024; value: 0.024; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall

Source checking is not independent reproduction.

0.462 ± 0.011 Precision

Unit: unitless · Direction: higher

Uncertainty: printed: 0.011; value: 0.011; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 3 GraphBind, column 3: SJC test split Precision

Source checking is not independent reproduction.

DeepProSite: SJC test split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Independent external evaluation · Evaluation metadata: needs review

0.458 ± 0.022 Recall

Unit: unitless · Direction: higher

Uncertainty: printed: 0.022; value: 0.022; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall

Source checking is not independent reproduction.

0.926 ± 0.002 AUROC

Unit: unitless · Direction: higher

Uncertainty: printed: 0.002; value: 0.002; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 4 DeepProSite, column 5: SJC test split AUROC

Source checking is not independent reproduction.

0.524 ± 0.015 MCC

Unit: unitless · Direction: higher

Uncertainty: printed: 0.015; value: 0.015; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 4 DeepProSite, column 4: SJC test split MCC

Source checking is not independent reproduction.

0.644 ± 0.011 Precision

Unit: unitless · Direction: higher

Uncertainty: printed: 0.011; value: 0.011; type: not explicitly identified in inspected table or caption

Scored: Not reported · Eligible: Not reported

source checkedProtein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 3 (Tab3), row 4 DeepProSite, column 3: SJC test split Precision

Source checking is not independent reproduction.

Evidence table

Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.

One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.

6 evidence rows matching the loaded filters

Claims, original sources and review scope · Release 2026-09-17-d277315f7d76
Property and statementOriginal source and locationReview and provenance
attributes.reported_population

No value recorded

Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the SJC; Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall; Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall; Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall; Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

missing or unspecified

No individual claim review recorded

Audit details

Field: attributes.reported_population

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

attributes.source_locator

Comparison of CLAPE-SMB with other models on the SJC; Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall; Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall; Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall; Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall

Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the SJC; Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall; Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall; Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall; Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.source_locator

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

attributes.split

Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.

Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the SJC; Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall; Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall; Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall; Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: attributes.split

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

attributes.subset

No value recorded

Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the SJC; Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall; Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall; Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall; Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

missing or unspecified

No individual claim review recorded

Audit details

Field: attributes.subset

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

description

Dataset and cohort used in the cited comparison. Dataset population counts do not establish successful prediction coverage.

Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the SJC; Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall; Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall; Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall; Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: description

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

name

SJC test split

Context-only references
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning

Original source ↗

Comparison of CLAPE-SMB with other models on the SJC; Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall; Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall; Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall; Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall

Version: version of record
Retrieved: 2026-09-16T10:41:06Z

not individually reviewed

No individual claim review recorded

Audit details

Field: name

Source artifact SHA-256: 215919244c3dd2dfb0b55fce91c211430fd8d4aee4bb28bd03eab9f4feb73e62

Hash scope: Hash scope not separately documented; inspect source record

Inspected artifact

Sources and history

Release 2026-09-17-d277315f7d76 · Record review: needs review

Download this release
Technical metadata and extraction receipts

Stable ID: paper-dataset-623c309e2fb4d39ef8

areas
proteins-complexes
tasks
protein-small molecule binding-site prediction
split
Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences.
subset
Not reported
reported population
Not reported
source locator
Comparison of CLAPE-SMB with other models on the SJC; Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall; Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall; Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall; Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall
missing metadata
manifest: unextracted; scored count: unreported
entity classification
review date: 2026-09-17; rationale: This record identifies a biological data collection or source-labelled evaluation cohort. Keep its dataset identity; split, assay, taxonomic level, candidate restrictions and comparison context remain attributes rather than automatically becoming new entity kinds.; source ids: clape-smb-2024; source locator: Comparison of CLAPE-SMB with other models on the SJC; Table 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall; Table 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall; Table 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall; Table 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall; ambiguities: The name suggests a selected cohort, but this record has no verified parent-dataset relationship or independently pinned membership manifest. Retain dataset rather than infer a new parent/subset identity from its name alone.
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