Загрузка...

GLORYx: Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics

[Image: see text] Predicting the structures of metabolites formed in humans can provide advantageous insights for the development of drugs and other compounds. Here we present GLORYx, which integrates machine learning-based site of metabolism (SoM) prediction with reaction rule sets to predict and r...

Полное описание

Сохранить в:
Библиографические подробности
Опубликовано в: :Chem Res Toxicol
Главные авторы: de Bruyn Kops, Christina, Šícho, Martin, Mazzolari, Angelica, Kirchmair, Johannes
Формат: Artigo
Язык:Inglês
Опубликовано: American Chemical Society 2020
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC7887798/
https://ncbi.nlm.nih.gov/pubmed/32786543
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.chemrestox.0c00224
Метки: Добавить метку
Нет меток, Требуется 1-ая метка записи!