The invention discloses a
genome scale
metabolic network model deletion reaction prediction and filling method and
system, and the method comprises the steps: obtaining a plurality of
genome scale
metabolic network models from a
metabolic network database, and constructing a
data set with a supervision
label; extracting and fusing the
molecular sequence and molecular map characteristics of the
metabolite to obtain an initial characteristic vector; constructing a metabolic
directed graph and a metabolic reaction
hypergraph based on a
positive reaction sample, performing feature
directivity enhancement by using the
directed graph, and extracting high-order
topological information through a
hypergraph convolutional neural network to obtain final feature representation of metabolites; on the basis of the feature representation, adopting an attention mechanism to predict candidate reaction confidence and training a model; and finally, screening a high-confidence reaction from the candidate reaction
pool and filling the target model with the high-confidence reaction. According to the method, the
metabolite multi-dimensional molecular characteristics and the network high-order
topological information are deeply fused, the prediction accuracy is remarkably improved, the method does not depend on experimental data, and the method is suitable for efficient
metabolic network model correction and optimization.