ArcDFI: Attention regularization guided by CYP450 interactions for predicting drug-food interactions
Fig 2
Descriptive illustration of ArcDFI.
a) Model architecture for ArcDFI. The parameters in Compound Substructure Encoder, Compound Graph Encoder and Compound-CYP Interaction Block are shared by both drug and food compounds. b) Detailed illustration of the Compound-CYP interaction block. c) Detailed illustration of the Cross-Modality Fusion Layer. The drug (food) compound-CYP interaction embedding is combined with the food (drug) compound graph embedding using a vector-wise outer product, followed by concatenation of the two embeddings.