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A database framework for rapid screening of structure-function relationships in PFAS chemistry
This paper describes a database framework that enables one to rapidly explore systematics in structure-function relationships associated with new and emerging PFAS chemistries. The data framework maps high dimensional information associated with the SMILES approach of encoding molecular structure wi...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7814031/ https://www.ncbi.nlm.nih.gov/pubmed/33462239 http://dx.doi.org/10.1038/s41597-021-00798-x |