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Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes
BACKGROUND: Complex network theory based methods and the emergence of “Big Data” have reshaped the terrain of investigating structure-activity relationships of molecules. This change gave rise to new methods which need to face an important challenge, namely: how to restructure a large molecular data...
Gardado en:
| Publicado en: | J Cheminform |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Springer International Publishing
2016
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4812625/ https://ncbi.nlm.nih.gov/pubmed/27030802 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0127-5 |
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