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Table 1 Coverage of labeled structures, number of predicted affinities for unlabeled structures, as well as sensitivity, specificity, precision, and accuracy for HPC-based prediction of binding affinity

From: Structure-guided selection of specificity determining positions in the human Kinome

Strategy

Cov.

#pred.

Sens.

Spec.

Prec.

Acc.

1

83 %

215

0.486

1.000

0.921

0.904

2

83 %

520

1.000

0.887

0.783

0.929

3

15 %

1,084

0.617

1.000

0.921

0.932

4

71 %

364

1.000

0.900

0.806

0.937

  1. Each row summarizes the average over all 38 ligands for the corresponding strategy