Drug-Target Interaction Prediction on BioSNAP
0.939AUROCBioT5+
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| BioT5+Model Category=Multi-task Generalist Models2024.02 | 0.939 | 0.942 | 0.875 | — | |
| BioT5Model Category=Single-task Specialist Models2024.02 | 0.937 | 0.937 | 0.874 | — | |
| BioT52023.10 | 0.937 | 0.937 | 0.874 | — | |
| GS-DTI‡Mechanism type=latent contrastive, Note=Structure-informed2026.06 | 0.934 | 0.934 | — | — | |
| ColdStartCPIDiscovered by=Human2026.03 | 0.9339 | — | — | 86.84 | |
| SP-DTI‡Mechanism type=classifier head, Note=Structure-informed2026.06 | 0.924 | 0.923 | — | — | |
| w/ LOGICA†Backbone=SELFormer–ESM-2, Mechanism type=token-score contrastive2026.06 | 0.921 | 0.929 | — | — | |
| PSICHICDiscovered by=Human2026.03 | 0.9164 | — | — | 84.87 | |
| w/ LatentCABackbone=SELFormer–ESM-2, Mechanism type=latent contrastive2026.06 | 0.907 | 0.915 | — | — | |
| DrugBANMechanism type=classifier head2026.06 | 0.907 | 0.916 | — | — | |
| DrugBANModel Category=Single-task Specialist Models2024.02 | 0.903 | 0.902 | 0.834 | — | |
| DrugBAN2023.10 | 0.903 | 0.902 | 0.834 | — | |
| ASI-EvolveDiscovered by=AI2026.03 | 0.8968 | — | — | 82.92 | |
| MolTransModel Category=Single-task Specialist Models2024.02 | 0.895 | 0.897 | 0.825 | — | |
| MolTrans2023.10 | 0.895 | 0.897 | 0.825 | — | |
| DrugBANDiscovered by=Human2026.03 | 0.8943 | — | — | 82.69 | |
| GraphDTAModel Category=Single-task Specialist Models2024.02 | 0.887 | 0.89 | 0.8 | — | |
| GraphDTA2023.10 | 0.887 | 0.89 | 0.8 | — | |
| DeepConv-DTIModel Category=Single-task Specialist Models2024.02 | 0.886 | 0.89 | 0.805 | — | |
| DeepConv-DTI2023.10 | 0.886 | 0.89 | 0.805 | — | |
| MolTransMechanism type=classifier head2026.06 | 0.886 | 0.894 | — | — | |
| ConPlexDiscovered by=Human2026.03 | 0.884 | — | — | 72.86 | |
| ConPLexMechanism type=latent contrastive2026.06 | 0.866 | 0.888 | — | — | |
| TransformerCPIDiscovered by=Human2026.03 | 0.8635 | — | — | 78.53 | |
| SVMModel Category=Single-task Specialist Models2024.02 | 0.862 | 0.864 | 0.777 | — | |
| SVM2023.10 | 0.862 | 0.864 | 0.777 | — | |
| RFModel Category=Single-task Specialist Models2024.02 | 0.86 | 0.886 | 0.804 | — | |
| RF2023.10 | 0.86 | 0.886 | 0.804 | — | |
| w/ LOGIMLM†Backbone=SELFormer–ESM-2, Mechanism type=logit-level MLM2026.06 | 0.815 | 0.846 | — | — | |
| DrugCLIP‡Mechanism type=latent contrastive, Note=Structure-informed2026.06 | 0.788 | 0.821 | — | — | |
| AdaMergingCategory=Merging Method2026.03 | — | — | 0.643 | 62 | |
| Avg. MergingCategory=Merging Method2026.03 | — | — | 0.664 | 66.5 | |
| Avg. Merging + FTCategory=Merging Method, Fine-tuning=True2026.03 | — | — | 0.558 | 55.9 | |
| Cell-o1Category=Specialized MLLM2026.03 | — | — | 0.593 | 59.8 | |
| Consensus MergingCategory=Merging Method2026.03 | — | — | 0.621 | 61 | |
| EMR-MergingCategory=Merging Method2026.03 | — | — | 0.663 | 66.9 | |
| ES-MergingCategory=Merging Method2026.03 | — | — | 0.691 | 68.4 | |
| LLaMA-3.1-8B-InstructCategory=Base LLM2026.03 | — | — | 0.615 | 60.2 | |
| LS-MergeCategory=Merging Method2026.03 | — | — | 0.618 | 60.6 | |
| Mol-LLaMACategory=Specialized MLLM2026.03 | — | — | 0.665 | 64 | |
| PCB-MergingCategory=Merging Method2026.03 | — | — | 0.603 | 58.8 | |
| Prot2Text-V2Category=Specialized MLLM2026.03 | — | — | 0.553 | 54.1 | |
| TIES-MergingCategory=Merging Method2026.03 | — | — | 0.627 | 61.6 |