Fig. 3
From: Efficient virtual high-content screening using a distance-aware transformer model
Similarity conservation in latent space. A 2D structure of a randomly chosen reference compound. B 2D structure of a molecule similar to the reference. Similarity was defined as having a Tanimoto coefficient above 0.8. The distances to the reference in latent space are shown for the individual models. C 2D structure of a dissimilar molecule. Dissimilarity was defined as having a Tanimoto coefficient below 0.3. Latent space distances to the reference are shown for the individual models