The invention discloses a
drug molecule generation method capable of explaining a federal
large model, and relates to the technical field of
artificial intelligence, and the method comprises the steps: S1, through a data
feature extraction and model initialization step, extracting multi-
modal features from distributed data, constructing and initializing a
drug molecule generation model, and obtaining a
drug molecule generation model; s2, performing parameter optimization on a federal learning
client through the
large model, including local training
fine tuning based on a distributed
client, and integrating fine-tuned parameters into a
global model of a
server to improve model performance and data utilization efficiency, S3, based on the optimized model, generating drug molecular structure information including a molecular description sequence and a
molecular graph; according to the
drug molecule generation method capable of explaining the federal
large model, on the basis of guaranteeing data privacy, the generation capacity and diversity of new molecules are remarkably improved, meanwhile, the transparency and credibility of the model are enhanced through
causal analysis and an attention mechanism, the performance and robustness of the model are improved, and the method has wide application prospects.