Design of chemical space networks incorporating compound distance relationships [version 1; referees: 2 approved]

Networks, in which nodes represent compounds and edges pairwise similarity relationships, are used as coordinate-free representations of chemical space. So-called chemical space networks (CSNs) provide intuitive access to structural relationships within compound data sets and can be annotated with a...

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Bibliographic Details
Main Authors: Antonio de la Vega de León, Jürgen Bajorath
Format: Article
Language:English
Published: F1000 Research Ltd 2016-11-01
Series:F1000Research
Subjects:
Online Access:https://f1000research.com/articles/5-2634/v1