Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models

Table 1 Number of bioactivities per hCA isoform in the processed dataset

ChEMBL Target ID	Target name	Target organism	Molecules in the initial dataset
CHEMBL205	Carbonic anhydrase II	Homo sapiens	4166
CHEMBL3594	Carbonic anhydrase IX	Homo sapiens	2310
CHEMBL3242	Carbonic anhydrase XII	Homo sapiens	1654

ISSN: 1758-2946