Strengths and considerations
No source-reviewed explanatory claims are recorded here yet.
Configuration
GraphBind
GraphBind as evaluated in the cited study. Paper-specific predictor and its documented input information
Sources
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 2 (Tab2), row 3 GraphBind, column 2: COACH420, trained on CHEN11 RecallAt a glance
Key specifications have not been extracted for this record. See the linked evaluation and sources for the reported setup.
limited source coverage · Automated source review, 2026-09-17. All specifications and missing details
Evaluations and results
Release 2026-09-17-d277315f7d76 · 3 evaluations · 12 metric rows. Different protocols are not a single leaderboard.
| Metric and finding | Coverage and uncertainty | Evidence |
|---|---|---|
| GraphBind: UniProtSMB test split Configuration: GraphBindProtocol: UniProtSMB test split (protein-small molecule binding-site prediction)Dataset: UniProtSMB 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 | ||
| 0.932 ± 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 4 (Tab4), row 3 GraphBind, column 5: UniProtSMB test split AUROC Source checking is not independent reproduction. |
| 0.565 ± 0.020 Recall Unit: unitless · Direction: higher | Uncertainty: printed: 0.020; value: 0.02; 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 4 (Tab4), row 3 GraphBind, column 2: UniProtSMB test split Recall Source checking is not independent reproduction. |
| 0.430 ± 0.007 Precision Unit: unitless · Direction: higher | Uncertainty: printed: 0.007; value: 0.007; 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 4 (Tab4), row 3 GraphBind, column 3: UniProtSMB test split Precision Source checking is not independent reproduction. |
| 0.473 ± 0.007 MCC Unit: unitless · Direction: higher | Uncertainty: printed: 0.007; value: 0.007; 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 4 (Tab4), row 3 GraphBind, column 4: UniProtSMB test split MCC Source checking is not independent reproduction. |
| GraphBind: SJC test split Configuration: GraphBindProtocol: SJC test split (protein-small molecule binding-site prediction)Dataset: 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. |
| GraphBind: COACH420, trained on CHEN11 Configuration: GraphBindProtocol: COACH420, trained on CHEN11 (protein-small molecule binding-site prediction)Dataset: COACH420, trained on CHEN11 Residue-level small-molecule binding-site classification. CHEN11 training, COACH420 test. Result quoted from another source · Evaluation metadata: needs review | ||
| 0.477 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 2 (Tab2), row 3 GraphBind, column 2: COACH420, trained on CHEN11 Recall Source checking is not independent reproduction. |
| 0.889 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 2 (Tab2), row 3 GraphBind, column 5: COACH420, trained on CHEN11 AUROC Source checking is not independent reproduction. |
| 0.303 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 2 (Tab2), row 3 GraphBind, column 4: COACH420, trained on CHEN11 MCC Source checking is not independent reproduction. |
| 0.223 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 2 (Tab2), row 3 GraphBind, column 3: COACH420, trained on CHEN11 Precision Source checking is not independent reproduction. |
How it works
Evaluation in this paper
Paper-specific predictor and its documented input information
Sources
Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Table 2 (Tab2), row 3 GraphBind, column 2: COACH420, trained on CHEN11 RecallStrengths and limitations
Limitations and conditions
No source-reviewed explanatory claims are recorded here yet.
Profile review details
Primary-source transcription and separate automated review. No human sign-off or experimental reproduction.
Stable record: paper-model-ed8b6410b6eb4b62f5Specifications
Inputs, training, access and other details
Explanatory profile: limited source coverage · Automated source review, 2026-09-17. Review applies to the cited claims; unresolved fields are listed below. Numerical results retain their own review status.
| Property | Description and evidence |
|---|---|
| Model type | Not extracted or verified for this record. |
| Inputs | Not extracted or verified for this record. |
| Outputs | Not extracted or verified for this record. |
| Parameters | Not extracted or verified for this record. |
| Known versions | Not extracted or verified for this record. |
| Training data | Not extracted or verified for this record. |
| Context limits | Not extracted or verified for this record. |
| Access | Not extracted or verified for this record. |
| Code licence | Not extracted or verified for this record. |
| Weights licence | Not extracted or verified for this record. |
Evidence table
Inspect claims, sources and review details
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.
2 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Evaluation in this paper Paper-specific predictor and its documented input information Individual claims | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning Table 2 (Tab2), row 3 GraphBind, column 2: COACH420, trained on CHEN11 Recall Version: version of record | source checked automated source review · 2026-09-17 Audit detailsPrimary-source transcription and separate automated review. No human sign-off or experimental reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Introduction GraphBind as evaluated in the cited study. Paper-specific predictor and its documented input information Individual claims | Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning Table 2 (Tab2), row 3 GraphBind, column 2: COACH420, trained on CHEN11 Recall Version: version of record | source checked automated source review · 2026-09-17 Audit detailsPrimary-source transcription and separate automated review. No human sign-off or experimental reproduction. Field: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
Sources and history
Release 2026-09-17-d277315f7d76 · Record review: needs review
1 source records and release history
- Protein-small molecule binding site prediction based on a pre-trained protein language model with contrastive learning · Original source · version of record
Technical metadata and extraction receipts
Stable ID: paper-model-ed8b6410b6eb4b62f5
- areas
- proteins-complexes
- tasks
- protein-small molecule binding-site prediction
- entity level
- method
- configuration type
- reported_configuration
- version
- Paper-specific predictor and its documented input information
- legacy kinds
- model
- entity classification
- review date: 2026-09-17; rationale: This source-scoped entry preserves the method/configuration actually named in an evaluation. It is neither a global family identity nor proof of an immutable checkpoint; the linked evaluation retains adaptation, fitting and scoring details.; source ids: clape-smb-2024; source locator: Table 2 (Tab2), row 3 GraphBind, column 2: COACH420, trained on CHEN11 Recall; ambiguities: Configuration means the source-labelled evaluated identity. It does not establish missing checkpoint hashes, default settings or equivalence to same-named records in other papers.