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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Bibliographic Details
Main Authors: Jessica Stacey, Baptiste Canault, Stephen D. Pickett, Valerie J. Gillet
Format: Article
Language:English
Published: BMC 2025-04-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-025-01002-7
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