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“Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool
The scaffold representation is widely employed to classify bioactive compounds on the basis of common core structures or correlate compound classes with specific biological activities. In this paper, we present a novel approach called “Molecular Anatomy” as a flexible and unbiased molecular scaffold...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8299179/ https://www.ncbi.nlm.nih.gov/pubmed/34301327 http://dx.doi.org/10.1186/s13321-021-00526-y |