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Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
BACKGROUND: Cheminformaticians are equipped with a very rich toolbox when carrying out molecular similarity calculations. A large number of molecular representations exist, and there are several methods (similarity and distance metrics) to quantify the similarity of molecular representations. In thi...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2015
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4456712/ https://www.ncbi.nlm.nih.gov/pubmed/26052348 http://dx.doi.org/10.1186/s13321-015-0069-3 |