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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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F1000Research
2016
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| 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 |