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A general approach for retrosynthetic molecular core analysis
Scaffold analysis of compound data sets has reemerged as a chemically interpretable alternative to machine learning for chemical space and structure–activity relationships analysis. In this context, analog series-based scaffolds (ASBS) are synthetically relevant core structures that represent indivi...
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| Publicat a: | J Cheminform |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer International Publishing
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6760108/ https://ncbi.nlm.nih.gov/pubmed/33430974 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0380-5 |
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