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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...
Autores principales: | O’Boyle, Noel M., Boström, Jonas, Sayle, Roger A., Gill, Adrian |
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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 |
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