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Table 7 Activity predictions and the corresponding selectivity profiles, potentially obtainable by using the binary activity models

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

Predicted label

hCA II

Active

Inactive

hCA IX

Active

Non selective

Selective for hCA IX over hCA II

Inactive

Selective for hCA II over hCA IX

Non selective

hCA XII

Active

Non selective

Selective for hCA XII over hCA II

Inactive

Selective for hCA II over hCA XII

Non selective