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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...
Autores principales: | Schäfer, Till, Kriege, Nils, Humbeck, Lina, Klein, Karsten, Koch, Oliver, Mutzel, Petra |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2017
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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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