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...

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Bibliographic Details
Main Authors: An Su, Krishna Rajan
Format: article
Language:EN
Published: Nature Portfolio 2021
Subjects:
Q
Online Access:https://doaj.org/article/6c46512c9dc047eeba81432d7e307a01
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