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Using Matched Molecular Series as a Predictive Tool To Optimize Biological Activity

[Image: see text] A matched molecular series is the general form of a matched molecular pair and refers to a set of two or more molecules with the same scaffold but different R groups at the same position. We describe Matsy, a knowledge-based method that uses matched series to predict R groups likel...

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Detalles Bibliográficos
Autores principales: O’Boyle, Noel M., Boström, Jonas, Sayle, Roger A., Gill, Adrian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3968889/
https://www.ncbi.nlm.nih.gov/pubmed/24601597
http://dx.doi.org/10.1021/jm500022q