Machine learning models and performance dependency on 2D chemical descriptor space for retention time prediction of pharmaceuticals

Autor: Beck, Armen G., Fine, Jonathan, Aggarwal, Pankaj, Regalado, Erik L., Levorse, Dorothy, De Jesus Silva, Jordan, Sherer, Edward C.
Zdroj: In Journal of Chromatography A 16 August 2024 1730
Databáze: ScienceDirect