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. 2023 Jul 6;36(7):1107–1120. doi: 10.1021/acs.chemrestox.3c00086

Table 7. Mean and Standard Deviation of the Performance of the Mechanistic Models and the Best Models Trained on an Extended Dataset with Pseudolabels.

    MCC
   
Endpoint CV Baseline Extended training set Number of pseudolabels Approach
Overall Random 0.54 (±0.05) 0.58 (±0.03) 1200 Combined approach
  Cluster 0.46 (±0.04) 0.52 (±0.05) 8000 Confidence-based approach
Membrane potential Random 0.64 (±0.03) 0.65 (±0.03) 4000 Active learning approach
  Cluster 0.53 (±0.08) 0.57 (±0.08) 8500 Confidence-based approach