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...

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Detalles Bibliográficos
Autores principales: Su, An, Rajan, Krishna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
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

Internet

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

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