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Staring off into chemical space

Nature Chemical Biology volume 5, pages 536–537 (2009)Cite this article

New software to browse chemical space, with structures organized by rings, will enable chemical insight.

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Figure 1: Depictions of scaffolds and their relationships using selected dihydrofolate reductase ligands drawn from the MDL Drug Data Report.

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Authors and Affiliations

  1. John J. Irwin is in the Department of Pharmaceutical Chemistry, University of California, San Francisco, California, USA. jji@cgl.ucsf.edu,

    John J Irwin

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  1. John J Irwin
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Irwin, J. Staring off into chemical space. Nat Chem Biol 5, 536–537 (2009). https://doi.org/10.1038/nchembio0809-536

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