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Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm
Natural products represent a prominent source of pharmaceutically and industrially important agents. Calculating the chemical similarity of two molecules is a central task in cheminformatics, with applications at multiple stages of the drug discovery pipeline. Quantifying the similarity of natural p...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5559407/ https://www.ncbi.nlm.nih.gov/pubmed/29086195 http://dx.doi.org/10.1186/s13321-017-0234-y |