On the basis of molecular subgraph coding method, a back propagation neural network was trained on the molecular subgraph code to predict Gibbs energy of alkanes.

采用分子子图编码法将烷烃的分子子图码作为人工神经网络的输入参数 ，对烷烃的吉布斯自由能进行预测 。

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On the basis of molecular subgraph coding method, a back propagation neural network was trained on the molecular subgraph code to predict Gibbs energy of alkanes.

采用分子子图编码法将烷烃的分子子图码作为人工神经网络的输入参数 ，对烷烃的吉布斯自由能进行预测 。

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