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Table 5 Effect of the mixing factor ε and deactivation rate on the hybrid model

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

ε

Dropout rate

Training Accuracy

Validation Accuracy

Test Accuracy

0

0

80.1%

70.0%

71.2%

1.0000

0

99.9%

63.1%

61.6%

0.1000

0

99.7%

65.1%

66.9%

0.0200

0

98.8%

71.0%

70.8%

0.0010

0

85.3%

71.9%

72.5%

0.0008

0

85.5%

75.3%

72.6%

0.0005

0

83.6%

70.1%

72.3%

0.0010

0

85.3%

71.9%

72.5%

0.0010

0.01

85.7%

73.8%

73.0%

0.0010

0.02

85.4%

73.7%

73.9%

0.0010

0.05

83.4%

73.1%

73.1%

0.0010

0.1

82.6%

70.9%

72.7%

0.0010

0.2

77.9%

68.7%

70.3%