Fragmentation tree prediction based on molecular fingerprints: Improving confidence of identification

Autor: Turkina, Viktoriia
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