Identification of Robust Antibiotic Subgroups by Integrating Multi-Species Drug–Drug Interactions
Ji Zu Lv, Guixia Liu, Yuan Ju, Houhou Huang, Dalin Li, Ying Sun · Journal of Chemical Information and Modeling · 2023
Previous studies have shown that antibiotics can be divided into groups, and drug–drug interactions (DDI) depend on their groups. However, these studies focused on a specific bacteria strain (i.e., Escherichia coli BW25113). Existing datasets often contain noise. Noisy labeled data may have a bad effect on the clustering results. To address this problem, we developed a multi-source information fusion method for integrating DDI information from multiple bacterial strains. Specifically, we calculated drug similarities based on the DDI network of each bacterial strain and then fused these drug similarity matrices to obtain a new fused similarity matrix. The fused similarity matrix was combined with the T-distributed stochastic neighbor embedding algorithm, and hierarchical clustering algorithm can effectively identify antibiotic subgroups. These antibiotic subgroups are strongly correlated with known antibiotic classifications, and group–group interactions are almost monochromatic. In summary, our method provides a promising framework for understanding the mechanism of action of antibiotics and exploring multi-species group–group interactions.