Heteroaromatic rings of the future.

  title={Heteroaromatic rings of the future.},
  author={William R. Pitt and David M Parry and Benjamin Perry and Colin R. Groom},
  journal={Journal of medicinal chemistry},
  volume={52 9},
Small aromatic ring systems are of central importance in the development of novel synthetic protein ligands. Here we generate a complete list of 24,847 such ring systems. We call this list and associated annotations VEHICLe, which stands for virtual exploratory heterocyclic library. Searches of literature and compound databases, using this list as substructure queries, identified only 1701 as synthesized. Using a carefully validated machine learning approach, we were able to estimate that the… CONTINUE READING
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