Scaffold Diversity of Exemplified Medicinal Chemistry Space

The scaffold diversity of 7 representative commercial and proprietary compound libraries is explored for the first time using both Murcko frameworks and Scaffold Trees. We show that Level 1 of the Scaffold Tree is useful for the characterization of scaffold diversity in compound libraries and offers...

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Veröffentlicht in:Journal of chemical information and modeling 2011-09, Vol.51 (9), p.2174-2185
Hauptverfasser: Langdon, Sarah R, Brown, Nathan, Blagg, Julian
Format: Artikel
Sprache:eng
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