and Table ). A more informative representation, however, is one in which the most similar parentprogeny pairs are connected by arrows (of length proportional to the sij metric calculated by either Mol2Vec or ESR). methods. The first observation is that the models capture, as should be expected, similarity between very close analogs sharing the same scaffolds (e.g., Emtricitabine antiviral parent vs. Lamivudine and other antiviral progenies in the upper-left "spider" in Figure ; or Tenofovir vs. Adefovir antivirals in the lower-right "spider"). Less obviously, there are also pairs that do not look that similar in terms of 2D structures but do have similar 3D conformations. In fact, additional analyses by the so-called