| Configuration: DeepProSite | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.490 ± 0.013 Recall unitless · higher Uncertainty: printed: 0.013; value: 0.013; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceDeepProSite: 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 4 DeepProSite, column 2: UniProtSMB test split Recall |
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| Configuration: CLAPE-SMB | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.743 ± 0.040 Precision unitless · higher Uncertainty: printed: 0.040; value: 0.04; 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: 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 5 CLAPE-SMB, column 3: UniProtSMB test split Precision |
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| Configuration: CLAPE-SMB | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.673 ± 0.031 Recall unitless · higher Uncertainty: printed: 0.031; value: 0.031; 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: 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 5 CLAPE-SMB, column 2: UniProtSMB test split Recall |
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| 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 |
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| 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 |
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| Configuration: P2Rank | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB 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: 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 2 P2Rank, column 5: UniProtSMB test split AUROC |
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| Configuration: P2Rank | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.236 MCC unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceP2Rank: 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 2 P2Rank, column 4: UniProtSMB test split MCC |
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| Configuration: CLAPE-SMB | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.699 ± 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: 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 5 CLAPE-SMB, column 4: UniProtSMB test split MCC |
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| Configuration: P2Rank | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.124 Precision unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceP2Rank: 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 2 P2Rank, column 3: UniProtSMB test split Precision |
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| Configuration: DeepProSite | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.756 ± 0.005 Precision 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 sourceDeepProSite: 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 4 DeepProSite, column 3: UniProtSMB test split Precision |
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| Configuration: P2Rank | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.632 Recall unitless · higher Uncertainty: Not reported Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceP2Rank: 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 2 P2Rank, column 2: UniProtSMB test split Recall |
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| Configuration: DeepProSite | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.598 ± 0.006 MCC 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 | Independent external evaluation · Source checkedMethods, coverage and sourceDeepProSite: 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 4 DeepProSite, column 4: UniProtSMB test split MCC |
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| 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 |
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| Configuration: DeepProSite | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.965 ± 0.001 AUROC unitless · higher Uncertainty: printed: 0.001; value: 0.001; type: not explicitly identified in inspected table or caption Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceDeepProSite: 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 4 DeepProSite, column 5: UniProtSMB test split AUROC |
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| 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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| Configuration: CLAPE-SMB | Protocol: UniProtSMB test split (protein-small molecule binding-site prediction) Dataset: UniProtSMB test split | 0.960 ± 0.001 AUROC unitless · higher Uncertainty: printed: 0.001; value: 0.001; 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: 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 5 CLAPE-SMB, column 5: UniProtSMB test split AUROC |
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