| Configuration: CLAPE-SMB | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.651 ± 0.016 Precision unitless · higher Uncertainty: printed: 0.016; value: 0.016; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceCLAPE-SMB: SJC 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 3 (Tab3), row 5 CLAPE-SMB, column 3: SJC test split Precision |
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| Configuration: P2Rank | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.66 Recall unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceP2Rank: SJC 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 3 (Tab3), row 2 P2Rank, column 2: SJC test split Recall |
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| 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 sourceGraphBind: SJC 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 3 (Tab3), row 3 GraphBind, column 4: SJC test split MCC |
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| Configuration: P2Rank | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.293 MCC unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceP2Rank: SJC 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 3 (Tab3), row 2 P2Rank, column 4: SJC test split MCC |
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| Configuration: DeepProSite | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.458 ± 0.022 Recall unitless · higher Uncertainty: printed: 0.022; value: 0.022; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceDeepProSite: SJC 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 3 (Tab3), row 4 DeepProSite, column 2: SJC test split Recall |
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| Configuration: DeepProSite | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.926 ± 0.002 AUROC unitless · higher Uncertainty: printed: 0.002; value: 0.002; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceDeepProSite: SJC 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 3 (Tab3), row 4 DeepProSite, column 5: SJC test split AUROC |
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| Configuration: CLAPE-SMB | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.529 ± 0.004 MCC unitless · higher Uncertainty: printed: 0.004; value: 0.004; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceCLAPE-SMB: SJC 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 3 (Tab3), row 5 CLAPE-SMB, column 4: SJC test split MCC |
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| Configuration: P2Rank | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | N/A AUROC unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceP2Rank: SJC 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 3 (Tab3), row 2 P2Rank, column 5: SJC test split AUROC |
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| Configuration: CLAPE-SMB | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.915 ± 0.002 AUROC unitless · higher Uncertainty: printed: 0.002; value: 0.002; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceCLAPE-SMB: SJC 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 3 (Tab3), row 5 CLAPE-SMB, column 5: SJC test split AUROC |
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| 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 sourceGraphBind: SJC 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 3 (Tab3), row 3 GraphBind, column 5: SJC test split AUROC |
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| 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 sourceGraphBind: SJC 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 3 (Tab3), row 3 GraphBind, column 2: SJC test split Recall |
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| Configuration: DeepProSite | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.524 ± 0.015 MCC unitless · higher Uncertainty: printed: 0.015; value: 0.015; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceDeepProSite: SJC 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 3 (Tab3), row 4 DeepProSite, column 4: SJC test split MCC |
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| 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 sourceGraphBind: SJC 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 3 (Tab3), row 3 GraphBind, column 3: SJC test split Precision |
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| Configuration: P2Rank | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.18 Precision unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceP2Rank: SJC 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 3 (Tab3), row 2 P2Rank, column 3: SJC test split Precision |
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| Configuration: CLAPE-SMB | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.456 ± 0.006 Recall unitless · higher Uncertainty: printed: 0.006; value: 0.006; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Author-reported evaluation · Source checkedMethods, coverage and sourceCLAPE-SMB: SJC 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 3 (Tab3), row 5 CLAPE-SMB, column 2: SJC test split Recall |
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| Configuration: DeepProSite | Protocol: SJC test split (protein-small molecule binding-site prediction) Dataset: SJC test split | 0.644 ± 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 sourceDeepProSite: SJC 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 3 (Tab3), row 4 DeepProSite, column 3: SJC test split Precision |
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