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Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

De novo molecular design and in silico prediction of polypharmacological profiles are emerging research topics that will profoundly affect the future of drug discovery and chemical biology. The goal is to identify the macromolecular targets of new chemical agents. Although several computational tool...

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Detalhes bibliográficos
Main Authors: Reker, Daniel, Rodrigues, Tiago, Schneider, Petra, Schneider, Gisbert
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3964060/
https://ncbi.nlm.nih.gov/pubmed/24591595
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1320001111
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