The invention belongs to the field of
computer science, and discloses an anti-COVID-19
drug discovery method based on
network characterization. The method comprises the following steps: firstly, constructing a multi-source, heterogeneous and large-scale biological
medicine network by fusing a plurality of databases such as DugBank, UniProt, HPRD, SIDER,
CTD, NDFRT and STRING; then, performing sequence sampling in the network in a random walk mode to form a network sequence
library, and performing characterization by utilizing a deep bidirectional
encoder characterization technology of
Transformer to obtain a characterization vector of each node is obtained; and performing
target drug interaction prediction by using an induction
matrix decomposition technology so as to find a potential anti-COVID19
drug and to infer action mechanism of related drugs. According to the method, multi-source
heterogeneous information and diversified data are integrated to provide multi-layer associated knowledge for
drug research and development, so that the prediction precision is improved; secondly, a multi-head attention mechanism is fused through a
Transformer model, the relevance between network nodes and the physical distance between the network nodes can be captured to different degrees, and then the characterization performance is improved.