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Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds

We report on the development of a cheminformatics enumeration technology and the analysis of a resulting large dataset of virtual macrolide scaffolds. Although macrolides have been shown to have valuable biological properties, there is no ready-to-screen virtual library of diverse macrolides in the...

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Detalles Bibliográficos
Autores principales: Zin, Phyo Phyo Kyaw, Williams, Gavin, Fourches, Denis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755550/
https://www.ncbi.nlm.nih.gov/pubmed/30421084
http://dx.doi.org/10.1186/s13321-018-0307-6