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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2021-01-01
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| Series: | Scientific Data |
| Online Access: | https://doi.org/10.1038/s41597-021-00798-x |