Patent ID: 11942191
Assignee: TENCENT TECHNOLOGY (SHENZHEN) COMPANY LIMITED
Field: Computer technology (Electrical engineering)
Classification: CPC G | IPC G

Claim 11:
12. The compound property prediction method according to claim 11, further comprising:
obtaining sample chemical structure information of a sample compound, the sample chemical structure information including a sample atom and a sample chemical bond;
generating a sample chemical structure graph corresponding to the sample chemical structure information according to the sample chemical structure information, the sample chemical structure graph including a sample node corresponding to the sample atom and a sample edge corresponding to the sample chemical bond;
constructing a sample original node feature of the sample node and a sample original edge feature of the sample edge;
predicting, by using a preset multi-layer edge information propagation model, properties of the sample compound based on the sample original node feature of the sample node and the sample original edge feature of the sample edge, to obtain a property prediction result of the sample compound; and
calculating a loss between the property prediction result of the sample compound and actual properties based on a loss function, and training the multi-layer edge information propagation model based on the loss, to obtain a trained multi-layer edge information propagation model.