A new ChEMBL dataset for the similarity-based target fishing engine FastTargetPred: Annotation of an exhaustive list of linear tetrapeptides

Drug discovery often requires the identification of off-targets as the binding of a compound to targets other than the intended target(s) can be beneficial in some cases or detrimental in other situations (e.g., binding to anti-targets). Such investigations are also of importance during the early st...

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Hlavní autoři:	Shivalika Tanwar, Patrick Auberger, Germain Gillet, Mario DiPaola, Katya Tsaioun, Bruno O. Villoutreix
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Elsevier 2022-06-01
Edice:	Data in Brief
Témata:	Peptide Virtual screening Drug discovery Target prediction
On-line přístup:	http://www.sciencedirect.com/science/article/pii/S2352340922003638
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