Fragmentation tree prediction based on molecular fingerprints: Improving confidence of identification
Autor: | Turkina, Viktoriia |
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Rok vydání: | 2023 |
Předmět: | |
DOI: | 10.5281/zenodo.8128269 |
Popis: | The presentation was given on the 5th of July at the SinS conference in Cardiff, where I presented a machine learning algorithm we developed to predict the occurrence probability of specific fragments and applied this algorithm to improve identification confidence. |
Databáze: | OpenAIRE |
Externí odkaz: |