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Scaffold composition and biological relevance of screening libraries

Nature Chemical Biology volume 3, pages 442–446 (2007)Cite this article

The chemical scaffolds from which screening libraries are built have strong influence on the libraries' utility for screening campaigns. Here we present analysis of the scaffold composition of several types of commercially available screening collections and compare those compositions to those of drugs and drug candidates.

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Figure 1: Visualizing topological similarities among chemical scaffolds with graphs.
Figure 2: The distribution of scaffolds among known drugs and characteristics of the scaffold distributions in readily available screening collections.
Figure 3: Neighborhood analysis of Drug scaffold coverage for RO5 and NP libraries.

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Acknowledgements

This work was supported by the American Lebanese Syrian Associated Charities (ALSAC) and St. Jude Children's Research Hospital (SJCRH).

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  1. Anang A. Shelat and R. Kiplin Guy are in the Department of Chemical Biology and Therapeutics, St. Jude Children's Research Hospital, 332 North Lauderdale, Memphis, Tennessee 38103, USA. kip.guy@stjude.org,

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Shelat, A., Guy, R. Scaffold composition and biological relevance of screening libraries. Nat Chem Biol 3, 442–446 (2007). https://doi.org/10.1038/nchembio0807-442

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