Fig. 6From: Deep scaffold hopping with multimodal transformer neural networksOverlay of the seed inhibitors (sliver) and top-predicted hops (colors). The 2D structures are shown below, and the structural similarity (2D Scaffold Tanimoto Similarity and 3D Shape and Color Similarity) and docking scores (kcal/mol) are attached in the upper left. Protein structure is retrieved from 5KZI [68]Back to article page