Fig. 6From: Transformer-based molecular optimization beyond matched molecular pairsExample of diverse molecules with desirable properties generated by models trained on (b) MMPs (c) pairs with Similarity (\(\ge\)0.5) (d) pairs with Similarity ([0.5, 0.7)). The changes in the generated molecules compared with starting molecule are highlighted in red. Sim represents Tanimoto similarityBack to article page