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

Table 2 Number of measurements and compounds in the ChEMBL datasets

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

The table presents the number of measurements and compounds present in particular datasets used in the study—human and rat data, divided into training and test sets

ISSN: 1758-2946