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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 RecallOverview
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
3 evaluations · 12 results. Different protocols are not a single leaderboard.
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| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: GraphBind | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.932 ± 0.003 AUROC unitless · higher Uncertainty: printed: 0.003; value: 0.003; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceGraphBind: UniProtSMB test split Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.565 ± 0.020 Recall unitless · higher Uncertainty: printed: 0.020; value: 0.02; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceGraphBind: UniProtSMB test split Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.486 ± 0.005 MCC unitless · higher Uncertainty: printed: 0.005; value: 0.005; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceResidue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: COACH420, trained on CHEN11 (protein-small molecule binding-site prediction) Dataset: COACH420, trained on CHEN11 | 0.477 Recall unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Result quoted from another source · Source checkedMethods, coverage and sourceGraphBind: COACH420, trained on CHEN11 Residue-level small-molecule binding-site classification. CHEN11 training, COACH420 test. Aggregation: Not reported 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 |
| Configuration: GraphBind | Protocol: COACH420, trained on CHEN11 (protein-small molecule binding-site prediction) Dataset: COACH420, trained on CHEN11 | 0.889 AUROC unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Result quoted from another source · Source checkedMethods, coverage and sourceGraphBind: COACH420, trained on CHEN11 Residue-level small-molecule binding-site classification. CHEN11 training, COACH420 test. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: COACH420, trained on CHEN11 (protein-small molecule binding-site prediction) Dataset: COACH420, trained on CHEN11 | 0.303 MCC unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Result quoted from another source · Source checkedMethods, coverage and sourceGraphBind: COACH420, trained on CHEN11 Residue-level small-molecule binding-site classification. CHEN11 training, COACH420 test. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: COACH420, trained on CHEN11 (protein-small molecule binding-site prediction) Dataset: COACH420, trained on CHEN11 | 0.223 Precision unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Result quoted from another source · Source checkedMethods, coverage and sourceGraphBind: COACH420, trained on CHEN11 Residue-level small-molecule binding-site classification. CHEN11 training, COACH420 test. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.906 ± 0.003 AUROC unitless · higher Uncertainty: printed: 0.003; value: 0.003; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceResidue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.568 ± 0.024 Recall unitless · higher Uncertainty: printed: 0.024; value: 0.024; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceResidue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.430 ± 0.007 Precision unitless · higher Uncertainty: printed: 0.007; value: 0.007; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceGraphBind: UniProtSMB test split Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.462 ± 0.011 Precision unitless · higher Uncertainty: printed: 0.011; value: 0.011; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceResidue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences. Aggregation: Not reported Protein-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 |
| Configuration: GraphBind | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.473 ± 0.007 MCC unitless · higher Uncertainty: printed: 0.007; value: 0.007; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceGraphBind: UniProtSMB test split Residue-level small-molecule binding-site classification. 80/10/10 train/validation/test partition of nonredundant sequences. Aggregation: Not reported Protein-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 |
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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, limitations and unresolved questions
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Stable record: paper-model-ed8b6410b6eb4b62f5Specifications
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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.
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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 |
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Release 2026-09-29-06401fd5b220 · Record review: needs review
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- 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.