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Teaching an Old Dog New Tricks: Strategies That Improve Early Recognition in Similarity-Based Virtual Screening

High throughput screening (HTS) is an important component of lead discovery, with virtual screening playing an increasingly important role. Both methods typically suffer from lack of sensitivity and specificity against their true biological targets. With ever-increasing screening libraries and virtu...

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Hlavní autoři: Ruifeng Liu, Mohamed Diwan M. AbdulHameed, Anders Wallqvist
Médium: Artigo
Jazyk:Inglês
Vydáno: Frontiers Media S.A. 2019-10-01
Edice:Frontiers in Chemistry
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On-line přístup:https://www.frontiersin.org/article/10.3389/fchem.2019.00701/full
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