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Spacial Score—A Comprehensive Topological Indicator for Small-Molecule Complexity
[Image: see text] The fraction of sp(3)-hybridized carbons (F(sp(3))) and the fraction of stereogenic carbons (F(Cstereo)) are two widely employed scores of molecular complexity with strong links to biologically relevant features. However, they do not comprehensively express molecular topology, and...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10544027/ https://www.ncbi.nlm.nih.gov/pubmed/37651653 http://dx.doi.org/10.1021/acs.jmedchem.3c00689 |