Lead ID / ADMET
50 benchmark(s) tagged with this stage. ← All stages
| Name | Modalities | Validation | Score | Flags |
|---|---|---|---|---|
| TDC ADMET Group | small-molecule | Retrospective | 100.0 | |
| SAbDab | biologic-mab | Retrospective | 100.0 | |
| ChEMBL | small-moleculeprotein-general | Wet-lab confirmed | 97.5 | |
| Observed Antibody Space (OAS) | biologic-mab | Retrospective | 97.5 | |
| ProteinGym | protein-general | Wet-lab confirmed | 97.5 | |
| Therapeutic Antibody Design Benchmark 2026 | biologic | Wet-lab confirmed | 97.0 | |
| RxRx3 Phenomics Benchmark | small-molecule | Wet-lab confirmed | 94.9 | |
| ASAP Discovery Antiviral 2025 | small-molecule | Prospective | 93.9 | |
| FLAb2 (Fitness Landscape for Antibodies 2) | antibodyprotein_sequence | Wet-lab confirmed | 91.9 | biologicsmulti_property |
| PoseX (Protein-Ligand Docking Benchmark) | protein_structuresmall-molecule | Retrospective | 91.4 | leakage_preventioncross_dockingleaderboard |
| Practical Molecular Optimization (PMO) | small-molecule | Retrospective | 88.9 | |
| NucleoBench | dnarnanucleic_acid | Retrospective | 88.9 | gene_therapyrna_therapeuticsgoogle_research |
| Polaris ADMET | small-molecule | Prospective | 88.4 | |
| BenchBB (Bench-tested Binder Benchmark) | protein_structureprotein_sequence | Wet-lab confirmed | 88.4 | experimental_validationcompetitionwet_lab |
| Cell Line Sensitivity Benchmark (CLSB) | small-molecule | Wet-lab confirmed | 88.1 | |
| ISM Benchmarks: GPCRs (Insilico) | small-moleculeprotein-general | Retrospective | 87.6 | |
| mRNABench (mRNA Property Prediction Benchmark) | rnanucleic_acid | Retrospective | 86.3 | rna_therapeuticsfoundation_model_eval |
| ToxCast | small-molecule | Retrospective | 85.6 | |
| GNNBench-Drug 2026 | small-molecule | Retrospective | 85.6 | |
| OpenBind EV-A71 Structure-Affinity Dataset | protein_structuresmall-molecule | Wet-lab confirmed | 84.8 | experimental_validationcrystallography |
| ISM Benchmarks: ADMET (Insilico) | small-molecule | Wet-lab confirmed | 84.6 | |
| Longevity Compound Benchmark | small-molecule | Wet-lab confirmed | 84.6 | |
| DMPKBench (DMPK LLM Evaluation Benchmark) | texttabularsmall-molecule | None | 83.8 | llm_benchmarkmulti_modalchinese_benchmark |
| MoleculeACE | small-molecule | Retrospective | 83.3 | |
| BOOM (Benchmarking Out-Of-Distribution Molecular Predictions) | small-molecule | None | 83.3 | neurips_2025ood_evaluationcritical_finding |
| DrugComb 2.0 Synergy Benchmark | small-molecule | Retrospective | 83.0 | |
| DMPK Integrated Benchmark | small-molecule | Retrospective | 82.5 | |
| CycPeptMPDB (Cyclic Peptide Membrane Permeability Database) | peptide | Wet-lab confirmed | 82.5 | biologicspeptide_therapeuticspermeability |
| mRNA Design Benchmark (CodonBench 2026) | rna-therapeutic | Prospective | 82.0 | |
| AbBiBench (Antibody Binding Benchmark) | protein_structureantibody | Retrospective | 80.8 | biologicsaffinity_maturation |
| GuacaMol | small-molecule | Retrospective | 80.5 | |
| pepADMET | peptidesmall-molecule | Retrospective | 80.0 | biologicspeptide_therapeuticsfirst_in_class |
| ADMET-AI | small-molecule | Retrospective | 79.5 | |
| AMES (mutagenicity) | small-molecule | Retrospective | 79.5 | |
| MolGenBench | small-molecule | Retrospective | 78.2 | hit_to_leadreal_world_metrics |
| MoleculeNet | small-molecule | Retrospective | 78.0 | data-leakage-known |
| USPTO-50K / USPTO-MIT (Retrosynthesis) | small-molecule | Retrospective | 78.0 | data-leakage-known |
| BioDesignBench | protein_structureai_agentprotein_sequence | Retrospective | 77.7 | agent_benchmarkprotein_engineering |
| Tox21 | small-molecule | Retrospective | 77.5 | |
| TDC DrugSyn (OncoPolyPharm + DrugComb_NCI60) | small-molecule | Wet-lab confirmed | 77.0 | |
| Obach PK Dataset | small-molecule | Retrospective | 77.0 | |
| FGBench (Functional Group Molecular Property Reasoning) | textsmall-molecule | None | 77.0 | neurips_2025llm_benchmarkinterpretability |
| PDBbind | small-moleculeprotein-general | Retrospective | 75.9 | data-leakage-known |
| hERG (cardio-tox) TDC | small-molecule | Retrospective | 73.9 | |
| DILI / LD50 Zhu | small-molecule | Retrospective | 73.9 | |
| MOSES | small-molecule | Retrospective | 72.4 | |
| AWS-JHU Antibody Developability Benchmark | biologic | Wet-lab confirmed | 72.3 | |
| ScaleBench: Molecular Property Prediction | small-molecule | Retrospective | 69.5 | |
| DrugPlayGround | small-molecule | Retrospective | 66.8 | |
| ClinTox | small-molecule | Retrospective | 65.6 | data-leakage-known |