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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Detalles Bibliográficos
Autores principales: de la Vega de León, Antonio, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: F1000Research 2016
Materias:
Method Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5289108/
https://www.ncbi.nlm.nih.gov/pubmed/28184279
http://dx.doi.org/10.12688/f1000research.10021.2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5289108/
https://www.ncbi.nlm.nih.gov/pubmed/28184279
http://dx.doi.org/10.12688/f1000research.10021.2

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