Scaffold Hunter: a comprehensive visual analytics framework for drug discovery

Scaffold Hunter: a comprehensive visual analytics framework for drug discovery

Abstract 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 compou...

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Bibliographic Details
Main Authors: Till Schäfer, Nils Kriege, Lina Humbeck, Karsten Klein, Oliver Koch, Petra Mutzel
Format: Article
Language:English
Published: BMC 2017-05-01
Series:Journal of Cheminformatics
Subjects:
Visualization
Chemical space
Scaffold tree
Molecule cloud
Clustering
Online Access:http://link.springer.com/article/10.1186/s13321-017-0213-3

Internet

http://link.springer.com/article/10.1186/s13321-017-0213-3

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