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Visualising lead optimisation series using reduced graphs

Abstract The typical way in which lead optimisation (LO) series are represented in the medicinal chemistry literature is as Markush structures and associated R-group tables. The Markush structure shows a central core or molecular scaffold that is common to the series with R groups that indicate the...

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Váldodahkkit: Jessica Stacey, Baptiste Canault, Stephen D. Pickett, Valerie J. Gillet
Materiálatiipa: Artigo
Giella:Inglês
Almmustuhtton: BMC 2025-04-01
Ráidu:Journal of Cheminformatics
Fáttát:
Liŋkkat:https://doi.org/10.1186/s13321-025-01002-7
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