Zobi and Lattuada Research Groups recently published a new article together in the journal ACS Omega, titled; “Unlabeled but Not Unseen: Cytotoxicity Classification of Re(I) Tricarbonyl Complexes via K-Means Clustering“. 

This work demonstrates how unsupervised machine learning can classify the cytotoxicity of rhenium(I) tricarbonyl complexes without prior toxicity labels. Their K-means clustering approach provides a transparent and efficient framework for early-stage toxicity assessment in metal-based drug discovery.

To read the article: https://pubs.acs.org/doi/10.1021/acsomega.5c13156