Novel chemical space exploration via natural products.

  title={Novel chemical space exploration via natural products.},
  author={Josefin Ros{\'e}n and Johan Gottfries and Sorel Muresan and Anders Backlund and Tudor I. Oprea},
  journal={Journal of medicinal chemistry},
  volume={52 7},
Natural products (NPs) are a rich source of novel compound classes and new drugs. In the present study we have used the chemical space navigation tool ChemGPS-NP to evaluate the chemical space occupancy by NPs and bioactive medicinal chemistry compounds from the database WOMBAT. The two sets differ notably in coverage of chemical space, and tangible leadlike NPs were found to cover regions of chemical space that lack representation in WOMBAT. Property based similarity calculations were… CONTINUE READING

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