A database framework for rapid screening of structure-function relationships in PFAS chemistry
Abstract 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 str...
Guardado en:
Autores principales: | An Su, Krishna Rajan |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2021
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Materias: | |
Acceso en línea: | https://doaj.org/article/6c46512c9dc047eeba81432d7e307a01 |
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