LLF (retrained on Davis and KIBA, PLABench)
Configuration of LLF: Retrained by the benchmark authors on Davis or KIBA under each split (warm: 5-fold CV on an 80/20 split; cold splits: two-stage protocol from MixingDTA, five fold models evaluated on a fixed test set and aggregated).
Overview
An explanatory profile has not yet been reviewed for this record.
Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.
Evaluations and results
6 evaluations · 36 results. Different protocols are not a single leaderboard.
Sorted by Concordance index (PLABench Davis-cold-drug) (higher is better). The best value in each column is highlighted. Decimals are rounded for display; each value links to the printed value and its source.
| Tested configuration | Protocol and dataset | Concordance index (PLABench Davis-cold-drug) | Concordance index (PLABench Davis-cold-target) | Concordance index (PLABench Davis-warm) | Concordance index (PLABench KIBA-cold-drug) | Concordance index (PLABench KIBA-cold-target) | Concordance index (PLABench KIBA-warm) | Modified squared correlation (PLABench Davis-cold-drug) | Modified squared correlation (PLABench Davis-cold-target) | Modified squared correlation (PLABench Davis-warm) | Modified squared correlation (PLABench KIBA-cold-drug) | Modified squared correlation (PLABench KIBA-cold-target) | Modified squared correlation (PLABench KIBA-warm) | MSE (PLABench Davis-cold-drug) | MSE (PLABench Davis-cold-target) | MSE (PLABench Davis-warm) | MSE (PLABench KIBA-cold-drug) | MSE (PLABench KIBA-cold-target) | MSE (PLABench KIBA-warm) | Pearson (PLABench Davis-cold-drug) | Pearson (PLABench Davis-cold-target) | Pearson (PLABench Davis-warm) | Pearson (PLABench KIBA-cold-drug) | Pearson (PLABench KIBA-cold-target) | Pearson (PLABench KIBA-warm) | RMSE (PLABench Davis-cold-drug) | RMSE (PLABench Davis-cold-target) | RMSE (PLABench Davis-warm) | RMSE (PLABench KIBA-cold-drug) | RMSE (PLABench KIBA-cold-target) | RMSE (PLABench KIBA-warm) | Spearman (PLABench Davis-cold-drug) | Spearman (PLABench Davis-cold-target) | Spearman (PLABench Davis-warm) | Spearman (PLABench KIBA-cold-drug) | Spearman (PLABench KIBA-cold-target) | Spearman (PLABench KIBA-warm) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| LLF (retrained on Davis and KIBA, PLABench)Evaluation | PLABench Davis, cold-drug split, Davis cold-drug test set (PLABench) | 0.663 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.053 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.711 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.278 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.843 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.313 | Not reported | Not reported | Not reported | Not reported | Not reported |
| LLF (retrained on Davis and KIBA, PLABench)Evaluation | PLABench Davis, cold-target split, Davis cold-target test set (PLABench) | Not reported | 0.756 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.24 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.453 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.514 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.673 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.45 | Not reported | Not reported | Not reported | Not reported |
| LLF (retrained on Davis and KIBA, PLABench)Evaluation | PLABench Davis, warm split, Davis warm test set (PLABench) | Not reported | Not reported | 0.881 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.656 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.224 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.821 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.473 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.669 | Not reported | Not reported | Not reported |
| LLF (retrained on Davis and KIBA, PLABench)Evaluation | PLABench KIBA, cold-drug split, KIBA cold-drug test set (PLABench) | Not reported | Not reported | Not reported | 0.715 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.247 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.457 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.548 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.676 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.566 | Not reported | Not reported |
| LLF (retrained on Davis and KIBA, PLABench)Evaluation | PLABench KIBA, cold-target split, KIBA cold-target test set (PLABench) | Not reported | Not reported | Not reported | Not reported | 0.795 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.523 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.343 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.726 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.585 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.735 | Not reported |
| LLF (retrained on Davis and KIBA, PLABench)Evaluation | PLABench KIBA, warm split, KIBA warm test set (PLABench) | Not reported | Not reported | Not reported | Not reported | Not reported | 0.883 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.768 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.155 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.882 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.394 | Not reported | Not reported | Not reported | Not reported | Not reported | 0.873 |
All 36 result rows with coverage, uncertainty and sources
Filter evaluations
Applied filters: All linked evaluations
| Tested configuration | Protocol and dataset | Finding | Evidence and details |
|---|---|---|---|
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-drug split Dataset: Davis cold-drug test set (PLABench) | 0.663 Concordance index (PLABench Davis-cold-drug) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-drug lit-interactions-20261011-leakctl-protocol-davis-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'Davis', column 'CI' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-drug split Dataset: Davis cold-drug test set (PLABench) | 0.711 MSE (PLABench Davis-cold-drug) unit-unreported · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-drug lit-interactions-20261011-leakctl-protocol-davis-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'Davis', column 'MSE' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-drug split Dataset: Davis cold-drug test set (PLABench) | 0.278 Pearson (PLABench Davis-cold-drug) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-drug lit-interactions-20261011-leakctl-protocol-davis-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'Davis', column 'Pearson' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-drug split Dataset: Davis cold-drug test set (PLABench) | 0.053 Modified squared correlation (PLABench Davis-cold-drug) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-drug lit-interactions-20261011-leakctl-protocol-davis-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'Davis', column 'rm2' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-drug split Dataset: Davis cold-drug test set (PLABench) | 0.843 RMSE (PLABench Davis-cold-drug) unit-unreported · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-drug lit-interactions-20261011-leakctl-protocol-davis-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'Davis', column 'RMSE' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-drug split Dataset: Davis cold-drug test set (PLABench) | 0.313 Spearman (PLABench Davis-cold-drug) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-drug lit-interactions-20261011-leakctl-protocol-davis-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'Davis', column 'Spearman' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-target split Dataset: Davis cold-target test set (PLABench) | 0.756 Concordance index (PLABench Davis-cold-target) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-target lit-interactions-20261011-leakctl-protocol-davis-cold-target Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-target', dataset 'Davis', column 'CI' (text-layer line 443) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-target split Dataset: Davis cold-target test set (PLABench) | 0.453 MSE (PLABench Davis-cold-target) unit-unreported · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-target lit-interactions-20261011-leakctl-protocol-davis-cold-target Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-target', dataset 'Davis', column 'MSE' (text-layer line 443) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-target split Dataset: Davis cold-target test set (PLABench) | 0.514 Pearson (PLABench Davis-cold-target) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-target lit-interactions-20261011-leakctl-protocol-davis-cold-target Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-target', dataset 'Davis', column 'Pearson' (text-layer line 443) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-target split Dataset: Davis cold-target test set (PLABench) | 0.24 Modified squared correlation (PLABench Davis-cold-target) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-target lit-interactions-20261011-leakctl-protocol-davis-cold-target Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-target', dataset 'Davis', column 'rm2' (text-layer line 443) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-target split Dataset: Davis cold-target test set (PLABench) | 0.673 RMSE (PLABench Davis-cold-target) unit-unreported · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-target lit-interactions-20261011-leakctl-protocol-davis-cold-target Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-target', dataset 'Davis', column 'RMSE' (text-layer line 443) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, cold-target split Dataset: Davis cold-target test set (PLABench) | 0.45 Spearman (PLABench Davis-cold-target) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench Davis-cold-target lit-interactions-20261011-leakctl-protocol-davis-cold-target Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-target', dataset 'Davis', column 'Spearman' (text-layer line 443) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, warm split Dataset: Davis warm test set (PLABench) | 0.881 Concordance index (PLABench Davis-warm) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourcelit-interactions-20261011-leakctl-protocol-davis-warm Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Warm split', dataset 'Davis', column 'CI' (text-layer line 440) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, warm split Dataset: Davis warm test set (PLABench) | 0.224 MSE (PLABench Davis-warm) unit-unreported · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourcelit-interactions-20261011-leakctl-protocol-davis-warm Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Warm split', dataset 'Davis', column 'MSE' (text-layer line 440) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, warm split Dataset: Davis warm test set (PLABench) | 0.821 Pearson (PLABench Davis-warm) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourcelit-interactions-20261011-leakctl-protocol-davis-warm Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Warm split', dataset 'Davis', column 'Pearson' (text-layer line 440) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, warm split Dataset: Davis warm test set (PLABench) | 0.656 Modified squared correlation (PLABench Davis-warm) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourcelit-interactions-20261011-leakctl-protocol-davis-warm Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Warm split', dataset 'Davis', column 'rm2' (text-layer line 440) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, warm split Dataset: Davis warm test set (PLABench) | 0.473 RMSE (PLABench Davis-warm) unit-unreported · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourcelit-interactions-20261011-leakctl-protocol-davis-warm Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Warm split', dataset 'Davis', column 'RMSE' (text-layer line 440) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench Davis, warm split Dataset: Davis warm test set (PLABench) | 0.669 Spearman (PLABench Davis-warm) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourcelit-interactions-20261011-leakctl-protocol-davis-warm Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Warm split', dataset 'Davis', column 'Spearman' (text-layer line 440) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench KIBA, cold-drug split Dataset: KIBA cold-drug test set (PLABench) | 0.715 Concordance index (PLABench KIBA-cold-drug) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench KIBA-cold-drug lit-interactions-20261011-leakctl-protocol-kiba-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'KIBA', column 'CI' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench KIBA, cold-drug split Dataset: KIBA cold-drug test set (PLABench) | 0.457 MSE (PLABench KIBA-cold-drug) unit-unreported · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench KIBA-cold-drug lit-interactions-20261011-leakctl-protocol-kiba-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'KIBA', column 'MSE' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench KIBA, cold-drug split Dataset: KIBA cold-drug test set (PLABench) | 0.548 Pearson (PLABench KIBA-cold-drug) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench KIBA-cold-drug lit-interactions-20261011-leakctl-protocol-kiba-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'KIBA', column 'Pearson' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench KIBA, cold-drug split Dataset: KIBA cold-drug test set (PLABench) | 0.247 Modified squared correlation (PLABench KIBA-cold-drug) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench KIBA-cold-drug lit-interactions-20261011-leakctl-protocol-kiba-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'KIBA', column 'rm2' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench KIBA, cold-drug split Dataset: KIBA cold-drug test set (PLABench) | 0.676 RMSE (PLABench KIBA-cold-drug) unit-unreported · lower Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench KIBA-cold-drug lit-interactions-20261011-leakctl-protocol-kiba-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'KIBA', column 'RMSE' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench KIBA, cold-drug split Dataset: KIBA cold-drug test set (PLABench) | 0.566 Spearman (PLABench KIBA-cold-drug) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench KIBA-cold-drug lit-interactions-20261011-leakctl-protocol-kiba-cold-drug Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-drug', dataset 'KIBA', column 'Spearman' (text-layer line 446) |
| Configuration: LLF (retrained on Davis and KIBA, PLABench) | Protocol: PLABench KIBA, cold-target split Dataset: KIBA cold-target test set (PLABench) | 0.795 Concordance index (PLABench KIBA-cold-target) unitless · higher Uncertainty: Not reported by the source Coverage: Not reported scored / Not reported eligible | Independent external evaluation · Source checkedMethods, coverage and sourceLLF on PLABench KIBA-cold-target lit-interactions-20261011-leakctl-protocol-kiba-cold-target Aggregation: Not reported Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Table 2, row 'LLF', strategy 'Cold-target', dataset 'KIBA', column 'CI' (text-layer line 443) |
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Sources and history
Release 2026-10-23-5347695500ed · Record review: source checked
1 source record and release history
- Leakage-controlled benchmarking reveals generalization limits of deep learning for protein-ligand binding affinity prediction · Original source · bioRxiv 10.64898/2026.09.17.752433v1 (posted 2026-09-23); 30-page PDF
Technical metadata and extraction receipts
Stable ID: lit-interactions-20261011-leakctl-config-llf-davis-kiba
- areas
- molecular-interactions
- contexts
- research
- method types
- supervised_machine_learning
- reported name
- LLF
- foundation model eligible
- false
- parameters
- Retrained by the benchmark authors on Davis or KIBA under each split (warm: 5-fold CV on an 80/20 split; cold splits: two-stage protocol from MixingDTA, five fold models evaluated on a fixed test set and aggregated)
- source locator
- Table 1; Methods; Table 2
- access reuse
- Not stated per model in the source; see each model's release
- missing metadata
- version: reason: unreported; note: No checkpoint version printed
- provenance note
- LLF as evaluated in PLABench (sequence-based).
Related records
- configuration of: LLF
- system: LLF on PLABench Davis-cold-drug
- system: LLF on PLABench Davis-cold-target
- system: LLF on PLABench Davis-warm
- system: LLF on PLABench KIBA-cold-drug
- system: LLF on PLABench KIBA-cold-target
- system: LLF on PLABench KIBA-warm