Fragment-based hit identification: thinking in 3D

•Current fragment libraries possess limited three-dimensional shape.•Principal moments of inertia are a useful way to rapidly assess molecular shape.•Bespoke synthesis is beneficial in generating diverse fragment libraries.•Pre-competitive networks are valuable but are challenging to operate success...

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Veröffentlicht in:	Drug discovery today 2013-12, Vol.18 (23-24), p.1221-1227
Hauptverfasser:	Morley, Andrew D., Pugliese, Angelo, Birchall, Kristian, Bower, Justin, Brennan, Paul, Brown, Nathan, Chapman, Tim, Drysdale, Martin, Gilbert, Ian H., Hoelder, Swen, Jordan, Allan, Ley, Steven V., Merritt, Andy, Miller, David, Swarbrick, Martin E., Wyatt, Paul G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Cooperative Behavior Drug Design Drug Discovery - methods Drug Industry - organization & administration Drug Industry - trends Humans Molecular Conformation Small Molecule Libraries - chemistry
Online-Zugang:	Volltext
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