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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2018
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| Materias: | |
| 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 |