QSAR model for pka prediction of phenols
Descriptors (topological, mathematical and quantum) were used to generate quantitative construction property connections (QSPR) for the pKa of 80 phenols. The informational index was divided into 56 preparation and 24 test sets, and models were built using the preparation set's incomplete least...
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| Format: | Article |
| Language: | English |
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University of Bologna
2023-02-01
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| Series: | EQA |
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| Online Access: | https://eqa.unibo.it/article/view/15686 |