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Greedy 3-Point Search (G3PS)—A Novel Algorithm for Pharmacophore Alignment
Chemical features of small molecules can be abstracted to 3D pharmacophore models, which are easy to generate, interpret, and adapt by medicinal chemists. Three-dimensional pharmacophores can be used to efficiently match and align molecules according to their chemical feature pattern, which facilita...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8658842/ https://www.ncbi.nlm.nih.gov/pubmed/34885781 http://dx.doi.org/10.3390/molecules26237201 |