Computer Calculation of Drug Penetration Through the Blood-Brain Barrier

被引：2

作者：

Raevsky, O. A. ^{[1
]}

Trepalin, S. V. ^{[1
]}

Grigor'ev, V. Yu. ^{[1
]}

Solodova, S. L. ^{[1
]}

Yarkov, A. V. ^{[1
]}

Raevskaya, O. E. ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Physiol Act Cpds, Dept Comp Aided Mol Design, Chernogolovka 142432, Moscow Region, Russia

来源：

PHARMACEUTICAL CHEMISTRY JOURNAL | 2014年 / 48卷 / 01期

关键词：

blood-brain barrier; H-bond; AMT-model; QSAR; HYBOT-descriptors; log BB; PREDICTION; TOXICITY;

D O I：

10.1007/s11094-014-1039-1

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Alocally written computer program was used to study the structure-activity relationship by analyzing a set of compounds with known blood-brain-barrier penetration values.

引用

页码：26 / 28

页数：3

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