The application discloses a
drug synergistic effect prediction method,
system, device and medium based on heterogeneous graph
tensor decomposition, and the prediction method comprises the following steps: obtaining a SMILES sequence of a
drug, extracting a molecular structure feature of the
drug, and obtaining a molecular structure feature representation of the drug; constructing a drug pair heterogeneous graph in each
cell line, and obtaining a local interaction feature of the drug through a heterogeneous graph conversion network; performing
Tucker decomposition on a three-channel heterogeneous graph relationship
tensor, splicing the
decomposition result with the local interaction feature of the drug, and extracting a global interaction
feature vector of the drug; and predicting a synergistic
score of a current drug-drug combination in a
cell line according to the molecular structure feature representation of the drug and the global interaction
feature vector of the drug. The application integrates the SMILES sequence of the drug and
gene expression information of the drug pair in the
cell line, and also converts the SMILES sequence into a drug molecular structure graph by using a graph
convolution network, so as to extract the molecular structure feature of the drug. Such a design enables TensoGraph to more accurately reflect the complexity and diversity of the
drug interaction network in the real world, thereby improving the prediction performance.