# Binary Molecular Property Prediction on MoleculeNet (test) Source: [Binary Molecular Property Prediction on MoleculeNet (test)]() Collection index: [llms.txt]() Data updated: 2026-02-26T05:36:37.127Z Evaluation of model performance on various binary molecular property prediction tasks (including BBBP, Tox21, MUV, etc.) using the test split of the MoleculeNet benchmark suite, reporting AUC and ranking metrics. A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage. | Scope | Recorded value | | --- | --- | | Task | Binary molecular property prediction | | Dataset (including any stated split) | MoleculeNet (test) | | Metric | BBBP AUC | | Unit | PERCENT | | Direction | Higher is better | | Results loaded | 18 of 18 | | Coverage | All results currently returned for this benchmark | Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol. ## Metrics - [BBBP AUC](): Higher is better; unit: PERCENT. - [Tox21 AUC](): Higher is better; unit: PERCENT. - [ToxCast AUC](): Higher is better; unit: PERCENT. - [SIDER AUC](): Higher is better; unit: PERCENT. - [ClinTox AUC](): Higher is better; unit: PERCENT. - [MUV AUC](): Higher is better; unit: PERCENT. - [HIV AUC](): Higher is better; unit: PERCENT. - [BACE AUC](): Higher is better; unit: PERCENT. - [Average Rank](): Lower is better; unit: SCALAR. - [Average AUC](): Higher is better; unit: PERCENT. ## Recorded results | Method | BBBP AUC | Result date | Report paper | | --- | --- | --- | --- | | GraphFPCPF | 72 | Not recorded | 68fa71031e209131cea4e8b8 | | GraphFP-JTC | 71.5 | Not recorded | 68fa71031e209131cea4e8b8 | | GraphFPC | 71.5 | Not recorded | 68fa71031e209131cea4e8b8 | | JOAOv2 | 71.4 | Not recorded | 68fa71031e209131cea4e8b8 | | GraphFPCP | 71.3 | Not recorded | 68fa71031e209131cea4e8b8 | | JOAO | 70.2 | Not recorded | 68fa71031e209131cea4e8b8 | | GraphFP-JTCF | 70.2 | Not recorded | 68fa71031e209131cea4e8b8 | | GraphFPCF | 70.1 | Not recorded | 68fa71031e209131cea4e8b8 | | G-Contextual | 69.9 | Not recorded | 68fa71031e209131cea4e8b8 | | GraphCL | 69.7 | Not recorded | 68fa71031e209131cea4e8b8 | | MGSSL | 68.9 | Not recorded | 68fa71031e209131cea4e8b8 | | GraphMVP | 68.5 | Not recorded | 68fa71031e209131cea4e8b8 | | GraphFPP | 68.2 | Not recorded | 68fa71031e209131cea4e8b8 | | ContextPred | 68 | Not recorded | 68fa71031e209131cea4e8b8 | | GraphLoG | 67.8 | Not recorded | 68fa71031e209131cea4e8b8 | | G-Motif | 66.9 | Not recorded | 68fa71031e209131cea4e8b8 | | GPT-GNN | 64.5 | Not recorded | 68fa71031e209131cea4e8b8 | | AttrMasking | 64.3 | Not recorded | 68fa71031e209131cea4e8b8 | ### GraphFPCPF BBBP AUC: 72. Result ID: 69916d103a6c314849081234. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"contrastive pretraining (C)":true,"predictive pretraining (P)":true,"fragment encoders (F)":true,"alpha":0.1}. This record does not assert independent reproduction. ### GraphFP-JTC BBBP AUC: 71.5. Result ID: 69916d103a6c31484908122e. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Fragmentation Strategy":"Junction Tree \[18\]"}. This record does not assert independent reproduction. ### GraphFPC BBBP AUC: 71.5. Result ID: 69916d103a6c314849081230. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"contrastive pretraining (C)":true}. This record does not assert independent reproduction. ### JOAOv2 BBBP AUC: 71.4. Result ID: 69916d103a6c31484908122b. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pretraining Strategy":"JOAOv2"}. This record does not assert independent reproduction. ### GraphFPCP BBBP AUC: 71.3. Result ID: 69916d103a6c314849081232. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"contrastive pretraining (C)":true,"predictive pretraining (P)":true,"alpha":0.3}. This record does not assert independent reproduction. ### JOAO BBBP AUC: 70.2. Result ID: 69916d103a6c31484908122a. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pretraining Strategy":"JOAO"}. This record does not assert independent reproduction. ### GraphFP-JTCF BBBP AUC: 70.2. Result ID: 69916d103a6c31484908122f. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Fragmentation Strategy":"Junction Tree \[18\]","Includes Fragment Encoder":true}. This record does not assert independent reproduction. ### GraphFPCF BBBP AUC: 70.1. Result ID: 69916d103a6c314849081233. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"contrastive pretraining (C)":true,"fragment encoders (F)":true}. This record does not assert independent reproduction. ### G-Contextual BBBP AUC: 69.9. Result ID: 69916d103a6c314849081226. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pretraining Strategy":"G-Contextual"}. This record does not assert independent reproduction. ### GraphCL BBBP AUC: 69.7. Result ID: 69916d103a6c314849081229. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pretraining Strategy":"GraphCL"}. This record does not assert independent reproduction. ### MGSSL BBBP AUC: 68.9. Result ID: 69916d103a6c31484908122d. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pretraining Strategy":"MGSSL"}. This record does not assert independent reproduction. ### GraphMVP BBBP AUC: 68.5. Result ID: 69916d103a6c31484908122c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pretraining Strategy":"GraphMVP"}. This record does not assert independent reproduction. ### GraphFPP BBBP AUC: 68.2. Result ID: 69916d103a6c314849081231. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"predictive pretraining (P)":true}. This record does not assert independent reproduction. ### ContextPred BBBP AUC: 68. Result ID: 69916d103a6c314849081224. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pretraining Strategy":"Context Prediction"}. This record does not assert independent reproduction. ### GraphLoG BBBP AUC: 67.8. Result ID: 69916d103a6c314849081228. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pretraining Strategy":"GraphLoG"}. This record does not assert independent reproduction. ### G-Motif BBBP AUC: 66.9. Result ID: 69916d103a6c314849081225. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pretraining Strategy":"G-Motif"}. This record does not assert independent reproduction. ### GPT-GNN BBBP AUC: 64.5. Result ID: 69916d103a6c314849081227. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pretraining Strategy":"GPT-GNN"}. This record does not assert independent reproduction. ### AttrMasking BBBP AUC: 64.3. Result ID: 69916d103a6c314849081223. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pretraining Strategy":"Attribute Masking"}. This record does not assert independent reproduction. Page 1 of 1. 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