Improved understanding of aqueous solubility modeling through topological data analysis

Topological data analysis is a family of recent mathematical techniques seeking to understand the ‘shape’ of data, and has been used to understand the structure of the descriptor space produced from a standard chemical informatics software from the point of view of solubility. We have used the mappe...

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Detalles Bibliográficos
Autores principales: Pirashvili, Mariam, Steinberg, Lee, Belchi Guillamon, Francisco, Niranjan, Mahesan, Frey, Jeremy G., Brodzki, Jacek
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755597/
https://www.ncbi.nlm.nih.gov/pubmed/30460426
http://dx.doi.org/10.1186/s13321-018-0308-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6755597/
https://www.ncbi.nlm.nih.gov/pubmed/30460426
http://dx.doi.org/10.1186/s13321-018-0308-5

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