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Table 2 Influence of hard-threshold activation on the Edit Vector-based model

From: Hard-threshold neural network-based prediction of organic synthetic outcomes

Activation Type

Training Accuracy

Validation Accuracy

Test Accuracy

Tanh(Soft)

80.0%

71.1%

70.0%

Step(Hard)

72.7%

71.5%

69.1%

3-Staircase(Hard)

76.4%

69.3%

69.8%

5-Staircase(Hard)

78.0%

68.9%

68.8%

7-Staircase(Hard)

80.1%

70.0%

71.2%

10-Staircase(Hard)

80.0%

69.8%

70.8%