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Table 2 Number of active and inactive compounds for each isoform, according to fixed activity thresholds

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

Activity values

hCA II (count)

hCA IX (count)

hCA XII (count)

< 20 nM (active)

1853

880

942

20–100 nM (intermediate)

1068

697

466

≥ nM (inactive)

1245

733

246

  1. We considered active compounds those with reported activity in the processed dataset below 20 nM, while those with activity above 100 nM were considered as inactives
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Journal of Cheminformatics

ISSN: 1758-2946

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