Design and evaluation of the performance of an NMR screening fragment library

Bradley Croy Doak, Craig James Morton, Jamie Scott Simpson, Martin Scanlon

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29 Citations (Scopus)


The design of a suitable library is an essential prerequisite to establish a fragment-based screening capability. Several pharmaceutical companies have described their approaches to establishing fragment libraries; however there are few detailed reports of both design and analysis of performance for a fragment library maintained in an academic setting. Here we report our efforts towards the design of a fragment library for nuclear magnetic resonance spectroscopy-based screening, demonstrate the performance of the library through analysis of 14 screens, and present a comparison to previously reported fragment libraries.
Original languageEnglish
Pages (from-to)1465-1472
Number of pages8
JournalAustralian Journal of Chemistry
Issue number12
Publication statusPublished - 2013

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