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. Author manuscript; available in PMC: 2025 Apr 15.
Published in final edited form as: Chem Res Toxicol. 2024 Mar 18;37(4):600–619. doi: 10.1021/acs.chemrestox.3c00411

Figure 6.

Figure 6

Hyperparameter tuning results (a) Hyperparameter grid search results for the baseline model using the optimal fingerprint options (radius=2, length=2,560), (b), (c), (d) Hyperparameter grid search for the random forest classifier using the optimal fingerprint options (radius=2, length=2,560) for min_samples_split = 2, 3, and 4.