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[Preprint]. 2026 Sep 16:2026.09.14.751554. [Version 1] doi: 10.64898/2026.09.14.751554

Table 2.

Performance comparison of DeepChem and Chemprop models on the test data.

Model Test Data ROC-AUC
DeepChem Antibiotic 0.71
DeepChem Toxicity 0.92
Chemprop Antibiotic 0.68
Chemprop Toxicity 0.93

ROC-AUC values for DeepChem and Chemprop trained and tested on the same dataset.