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