The invention discloses a characterization alignment space-based
drug-target interaction prediction method and device. The method comprises the following steps of: initializing parameters of a
protein characterization dimension, a
drug characterization dimension, a public embedding characterization dimension, the number of
layers of a multi-layer sensor and a batch dimension; acquiring a plurality of single-source
network data through a plurality of
pharmaceutical databases, and performing comparison
processing to construct a biological
medicine heterogeneous network; according to a comparative learning strategy, integrating a
protein target and
drug characterization into a public embedding characterization space, and carrying out DTI association training to set a model; and inputting the
protein targets and the corresponding drug representations into the trained setting model for DTI prediction to obtain a plurality of most relevant drugs. According to the method, by constructing the biological
medicine heterogeneous network, the DTI association related to unknown medicines can be predicted; an embedded characterization alignment frame is built, a high-quality characterization method can be utilized to characterize a biological
medicine network and a
biological entity, and the problem of training data sparsity can be solved by utilizing contrast loss.