Table 3 Prediction statistics.

From: Searching the chemical space for effective magnesium dissolution modulators: a deep learning approach using sparse features

Statistic

FS60/DS60

FS60/DS15

FS60/DS75

RMSE

72.99

52.21

61.62

R2

0.36

0.74

0.64

r

0.60

0.86

0.80

p

0.02

< 0.01

< 0.01

  1. Root mean squared errors (RMSE), coefficients of determination (R2), correlation coefficients (Pearson’s r) and p-values of predictions on the blind testing dataset, per feature set. RMSE is given in percentage points (pp) w.r.t. the inhibition efficiency.
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