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. 2024 Sep 11;15:7946. doi: 10.1038/s41467-024-52060-8

Fig. 7. Designed dual ligand candidates for AT1/sEH (10), FFAR1/sEH (11) and FFAR1/AT1 (12) from chemical language models.

Fig. 7

a Synthesis of 10–12. b Target prediction (Z-scores) of designs obtained by beam search over the fine-tuning procedure using the Similarity Ensemble Approach (SEA)39 for the target of interest. Z-Scores are the mean ± standard deviation (SD). For each epoch beam search designs (width 50) were generated and only valid SMILES were analyzed. Source data are provided as a Source Data file.