Cargando…
Continuous symmetry and chirality measures: approximate algorithms for large molecular structures
Quantifying imperfect symmetry of molecules can help explore the sources, roles and extent of structural distortion. Based on the established methodology of continuous symmetry and chirality measures, we develop a set of three-dimensional molecular descriptors to estimate distortion of large structu...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10636902/ https://www.ncbi.nlm.nih.gov/pubmed/37946281 http://dx.doi.org/10.1186/s13321-023-00777-x |