Table 4 The recall, number of true positives, and accuracy for each isotherm type (relative to the total number of samples) based on the threshold (to distinguish Type I isotherms from the other classes) and the tolerance (that separate Weak Type V isotherms from the other classes)

From: Unified physio-thermodynamic descriptors via learned CO2 adsorption properties in metal-organic frameworks

Type

Threshold [Type I]

Tolerance (Weak Type V)

Recall

True Positives

Accuracy

Total Samples

Type I

0.1

0.05

0.99

3863

0.816

3888

Weak Type V

0.11

104

910

Type I(b)

0.00

0

97

Type V

0.91

351

387

Type III

0.74

83

112

Type I

0.005

0

0.99

3842

0.785

3888

Weak Type V

0.00

0

910

Type I(b)

0.39

38

97

Type V

0.71

273

387

Type III

0.74

83

112

Type I

0.005

0.003

0.005

0.99

3842

0.877

3888

Weak Type V

0.50

453

910

Type I(b)

0.00

0

97

Type V

0.91

351

387

Type III

0.74

83

112

Type I

0.005

0.05

0.1

0.96

3740

0.910

3888

Weak Type V

0.81

737

910

Type I(b)

0.00

0

97

Type V

0.91

351

387

Type III

0.74

83

112