Heterogeneous graph neural network traditional Chinese medicine target prediction method based on attention mechanism
A neural network and target prediction technology, applied in drug reference, alternative drugs, chemical machine learning, etc., can solve problems such as the limitation of obtaining neighborhood information, the utilization of traditional Chinese medicine and target data, and the inability to flexibly adjust the weight of different relationships, so as to avoid The effect of domain knowledge
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[0043] In order to make the objectives, technical solutions and advantages of the present invention clearer, the present invention will be further described below in conjunction with specific embodiments and accompanying drawings. It should be understood that the preferred embodiments described here are only used to illustrate and explain the present invention, and It is not intended to limit the invention.
[0044] A kind of traditional Chinese medicine target prediction method based on attention mechanism heterogeneous graph neural network of the present invention, comprises the steps of following sequential execution successively:
[0045] 1. Input module
[0046] Given a dataset of herbs H, targets T, efficacy F, and pathways P, the interaction relationship between herbs and targets is defined as {(h,e ht ,t),(t,e th ,h)|h∈H,t∈T}, where e ht = 1 means that the target t is the target of the herb h. Similarly, the herb-efficacy relationship and the target-pathway relations
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