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On Quality Thresholds for the Clustering of Molecular Structures
[Image: see text] It has been recently suggested that diametral (so-called quality) similarity thresholds are superior to radial ones for the clustering of molecular three-dimensional structures (González-Alemán et al., 2020). The argument has been made for two clustering algorithms available in var...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9709914/ https://www.ncbi.nlm.nih.gov/pubmed/36264888 http://dx.doi.org/10.1021/acs.jcim.2c01079 |