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Table 2 Number of measurements and compounds in the ChEMBL datasets

From: How can SHAP values help to shape metabolic stability of chemical compounds?

Dataset Subset Number of measurements Number of compounds
Human Train 3221 3149
Test 357 349
Total 3578 3498
Rat Train 1634 1616
Test 185 179
Total 1819 1795
  1. The table presents the number of measurements and compounds present in particular datasets used in the studyhuman and rat data, divided into training and test sets