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Table 3 Influence of the subnetwork structure on the Edit Vector-based model

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

Subnetwork structure

Training Accuracy

Validation Accuracy

Test Accuracy

200/100/50

80.1%

70.0%

71.2%

250/100/50

80.0%

72.0%

71.3%

250/125/50

78.8%

71.7%

70.9%

300/100/50

78.7%

69.8%

69.8%

100/100/50/50/50

76.0%

70.4%

69.9%

100/100/50/50/50

74.7%

70.1%

69.5%