Heteroaromatic rings of the future.

@article{Pitt2009HeteroaromaticRO,
  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},
  year={2009},
  volume={52 9},
  pages={2952-63}
}
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
Recent Discussions
This paper has been referenced on Twitter 1 time over the past 90 days. VIEW TWEETS
29 Citations
37 References
Similar Papers

Citations

Publications citing this paper.
Showing 1-10 of 29 extracted citations

References

Publications referenced by this paper.
Showing 1-10 of 37 references

Modulation of chemosensory receptors and heterobicyclic ligands associated therewith and their preparation

  • X. Li, H. Xu, +8 authors A. Patron
  • Patent WO20080306076,
  • 2008

Use of Markush

  • J. Comput.-Aided Mol. Des
  • 2007

Virtual exploration

  • T. Fink, H. Bruggesser, J. L. Reymond
  • drug discovery. J. Chem. Inf. Model
  • 2007

Similar Papers

Loading similar papers…