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Design of chemical space networks incorporating compound distance relationships

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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Bibliografiske detaljer
Udgivet i:F1000Res
Main Authors: de la Vega de León, Antonio, Bajorath, Jürgen
Format: Artigo
Sprog:Inglês
Udgivet: F1000Research 2016
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5289108/
https://ncbi.nlm.nih.gov/pubmed/28184279
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.12688/f1000research.10021.2
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