# Molecular prediction on ClinTox full-shot (test) Source: [Molecular prediction on ClinTox full-shot (test)]() Collection index: [llms.txt]() Data updated: 2026-05-18T06:27:30.125Z Evaluation of molecular prediction performance on the full-shot test split of the ClinTox dataset, typically measured using ROC-AUC. 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 | Molecular prediction | | Dataset (including any stated split) | ClinTox full-shot (test) | | Metric | ROC-AUC | | Unit | SCALAR | | Direction | Higher is better | | Results loaded | 25 of 25 | | 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 - [ROC-AUC](): Higher is better; unit: SCALAR. ## Recorded results | Method | ROC-AUC | Result date | Report paper | | --- | --- | --- | --- | | SUPTsoft | 77.36 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 76.08 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 75.65 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 75.55 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 75.25 | Not recorded | 68fa72361e209131cea54f7c | | FT | 75.17 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 74.9 | Not recorded | 68fa72361e209131cea54f7c | | FT | 74.46 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 74.17 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 74.14 | Not recorded | 68fa72361e209131cea54f7c | | FT | 73.71 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 73.61 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 73.15 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 72.73 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 72.72 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 71.21 | Not recorded | 68fa72361e209131cea54f7c | | SUPTsoft | 70.41 | Not recorded | 68fa72361e209131cea54f7c | | FT | 70.06 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 69.97 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 69.58 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 69.48 | Not recorded | 68fa72361e209131cea54f7c | | SUPThard | 69.47 | Not recorded | 68fa72361e209131cea54f7c | | FT | 69.07 | Not recorded | 68fa72361e209131cea54f7c | | GPF-plus | 68.89 | Not recorded | 68fa72361e209131cea54f7c | | GPF | 67.92 | Not recorded | 68fa72361e209131cea54f7c | ### SUPTsoft ROC-AUC: 77.36. Result ID: 6a0ab07e47f34ce924f016f1. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 76.08. Result ID: 6a0ab07e47f34ce924f016ec. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 75.65. Result ID: 6a0ab07e47f34ce924f016eb. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 75.55. Result ID: 6a0ab07e47f34ce924f016f6. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 75.25. Result ID: 6a0ab07e47f34ce924f016f0. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### FT ROC-AUC: 75.17. Result ID: 6a0ab07e47f34ce924f016f7. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 74.9. Result ID: 6a0ab07e47f34ce924f016f5. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### FT ROC-AUC: 74.46. Result ID: 6a0ab07e47f34ce924f016ed. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 74.17. Result ID: 6a0ab07e47f34ce924f016ef. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 74.14. Result ID: 6a0ab07e47f34ce924f016e9. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### FT ROC-AUC: 73.71. Result ID: 6a0ab07e47f34ce924f016f2. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 73.61. Result ID: 6a0ab07e47f34ce924f016ea. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 73.15. Result ID: 6a0ab07e47f34ce924f016f3. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 72.73. Result ID: 6a0ab07e47f34ce924f016f4. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"ContextPred"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 72.72. Result ID: 6a0ab07e47f34ce924f016ee. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"AttrMasking"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 71.21. Result ID: 6a0ab07e47f34ce924f016fb. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### SUPTsoft ROC-AUC: 70.41. Result ID: 6a0ab07e47f34ce924f01700. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### FT ROC-AUC: 70.06. Result ID: 6a0ab07e47f34ce924f016e8. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"Infomax"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 69.97. Result ID: 6a0ab07e47f34ce924f016ff. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 69.58. Result ID: 6a0ab07e47f34ce924f016fe. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 69.48. Result ID: 6a0ab07e47f34ce924f016f8. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### SUPThard ROC-AUC: 69.47. Result ID: 6a0ab07e47f34ce924f016fa. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### FT ROC-AUC: 69.07. Result ID: 6a0ab07e47f34ce924f016fc. [Reporting paper]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. ### GPF-plus ROC-AUC: 68.89. Result ID: 6a0ab07e47f34ce924f016f9. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"GCL"}. This record does not assert independent reproduction. ### GPF ROC-AUC: 67.92. Result ID: 6a0ab07e47f34ce924f016fd. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Pre-training Strategy":"EdgePred"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.