Deep Learning Based Prediction of Gas Chromatographic Retention Indices for a Wide Variety of Polar and Mid-Polar Liquid Stationary Phases

Prediction of gas chromatographic retention indices based on compound structure is an important task for analytical chemistry. The predicted retention indices can be used as a reference in a mass spectrometry library search despite the fact that their accuracy is worse in comparison with the experim...

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Detalles Bibliográficos
Autores principales: Matyushin, Dmitriy D., Sholokhova, Anastasia Yu., Buryak, Aleksey K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8430916/
https://www.ncbi.nlm.nih.gov/pubmed/34502099
http://dx.doi.org/10.3390/ijms22179194

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8430916/
https://www.ncbi.nlm.nih.gov/pubmed/34502099
http://dx.doi.org/10.3390/ijms22179194

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