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Web-based 3D-visualization of the DrugBank chemical space

BACKGROUND: Similarly to the periodic table for elements, chemical space offers an organizing principle for representing the diversity of organic molecules, usually in the form of multi-dimensional property spaces that are subjected to dimensionality reduction methods to obtain 3D-spaces or 2D-maps...

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Detalles Bibliográficos
Autores principales: Awale, Mahendra, Reymond, Jean-Louis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4855437/
https://www.ncbi.nlm.nih.gov/pubmed/27148409
http://dx.doi.org/10.1186/s13321-016-0138-2