Fig. 5: Example results for the retrieval task.
From: CLOOME: contrastive learning unlocks bioimaging databases for queries with chemical structures
On a hold-out test set, the five molecules for which representations are the most similar to the query image are shown along with their corresponding images. Blue boxes mark the query image and its matched molecular structure, i.e., the matched pair. CLOOME can be used to retrieve molecules that could produce similar biological effects on treated cells, i.e., bioisosteres.
