QNA-Based Prediction of Sites of Metabolism.

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作者： Olga,Tarasova ^[1] ; Anastassia,Rudik ^[2] ; Alexander,Dmitriev ^[3] ; Alexey,Lagunin ^[4] ; Dmitry,Filimonov ^[5] ; Vladimir,Poroikov ^[6]

作者单位： Institute of Biomedical Chemistry, 10 Building 8, Pogodinskaya Street, 119121 Moscow, Russia. olga.a.tarasova@gmail.com. ^[1] Institute of Biomedical Chemistry, 10 Building 8, Pogodinskaya Street, 119121 Moscow, Russia. rudik_anastassia@mail.ru. ^[2] Institute of Biomedical Chemistry, 10 Building 8, Pogodinskaya Street, 119121 Moscow, Russia. a.v.dmitriev@mail.ru. ^[3] Institute of Biomedical Chemistry, 10 Building 8, Pogodinskaya Street, 119121 Moscow, Russia. alexey.lagunin@ibmc.msk.ru. ^[4] Pirogov Russian National Research Medical University, 1 Ostrovityanova Str., 117997 Moscow, Russia. alexey.lagunin@ibmc.msk.ru. ^[5] Institute of Biomedical Chemistry, 10 Building 8, Pogodinskaya Street, 119121 Moscow, Russia. dmitry.filimonov@ibmc.msk.ru. ^[6] Institute of Biomedical Chemistry, 10 Building 8, Pogodinskaya Street, 119121 Moscow, Russia. vladimir.poroikov@ibmc.msk.ru. ^[7]

关键词 QNA SOM computational prediction cytochromes quantitative neighborhoods of atoms sites of metabolism

主题词贝叶斯定理(Bayes Theorem);细胞色素P450酶系统(Cytochrome P-450 Enzyme System);人类(Humans);配体(Ligands);模型, 化学(Models, Chemical);分子结构(Molecular Structure);异生物质(Xenobiotics)

DOI 10.3390/molecules22122123

PMID 29194399

发布时间 2019-12-10

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