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Scaffold Hunter: a comprehensive visual analytics framework for drug discovery

The era of big data is influencing the way how rational drug discovery and the development of bioactive molecules is performed and versatile tools are needed to assist in molecular design workflows. Scaffold Hunter is a flexible visual analytics framework for the analysis of chemical compound data a...

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Detalles Bibliográficos
Autores principales: Schäfer, Till, Kriege, Nils, Humbeck, Lina, Klein, Karsten, Koch, Oliver, Mutzel, Petra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5425364/
https://www.ncbi.nlm.nih.gov/pubmed/29086162
http://dx.doi.org/10.1186/s13321-017-0213-3

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