A Simple Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Classification Trees

Castillo-Garit Juan A.; Casanola-Martin Gerardo M.; Huong Le-Thi-Thu; Hai Pham-The; Barigye Stephen J.

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A Simple Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Classification Trees

机译：使用分类树预测药物状化合物的血脑屏障渗透性的简单方法

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Background: To know the ability of a compound to penetrate the blood-brain barrier (BBB) is a challenging task; despite the numerous efforts realized to predict/measure BBB passage, they still have several drawbacks.

机译：背景：要知道化合物渗透血脑屏障（BBB）的能力是一个具有挑战性的任务; 尽管实现了许多实现预测/测量BBB通道的努力，但它们仍然有几个缺点。

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来源
《Medicinal chemistry》 |2017年第7期|共6页
作者
Castillo-Garit Juan A.; Casanola-Martin Gerardo M.; Huong Le-Thi-Thu; Hai Pham-The; Barigye Stephen J.;
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作者单位

Univ Ciencias Med Serafin Ruiz de Zarate Ruiz San Unidad Toxicol Expt Villa Clara 50200 Cuba;

Univ Valencia Unidad Invest Diseno Farmacos &

Conectividad Mol Dept Quim Fis Fac Farm Valencia;

Vietnam Natl Univ Sch Med &

Pharm Hanoi VNU 144 Xuan Thuy Hanoi Vietnam;

Hanoi Univ Pharm 13-15 Le Thanh Tong Hanoi Vietnam;

McGill Univ Dept Chem 801 Sherbrooke St W Montreal PQ H3A Canada;

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原文格式 PDF
正文语种 eng
中图分类医用化学;
关键词
Blood-brain barrier; classification tree; molecular descriptor; neuropharmaceuticals; quantitative structure-activity relationship; WEKA;

机译：血脑屏障;分类树;分子描述符;神经药物;定量结构 - 活动关系;韦卡;

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专利

1. A Simple Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Classification Trees [J] . Castillo-Garit Juan A., Casanola-Martin Gerardo M., Huong Le-Thi-Thu, Medicinal chemistry . 2017,第7期

机译：使用分类树预测药物状化合物的血脑屏障渗透性的简单方法
2. New predictive models for blood-brain barrier permeability of drug-like molecules. [J] . Kortagere S, Chekmarev D, Welsh WJ, Pharmaceutical research . 2008,第8期

机译：药物样分子血脑屏障通透性的新预测模型。
3. New predictive models for blood-brain barrier permeability of drug-like molecules. [J] . Kortagere S, Chekmarev D, Welsh WJ, Pharmaceutical research . 2008,第8期

机译：药物样分子血脑屏障通透性的新预测模型。
4. Drug-like and Non Drug-like Pattern Classification Based on Simple Topology Descriptor Using Hybrid Neural Network [C] . Wan Mohd Fahmi Wan-Mamat, Nor Ashidi Mat Isa, Habibah A. Wahab, Annual International Conference of the IEEE Engineering in Medicine and Biology Society . 2009

机译：使用混合神经网络的简单拓扑描述符的药物状和非药物样图案分类
5. Novel structure similarity-based methods for identifying drug-like compounds. [D] . Cao, Yi Qun. 2010

机译：基于新型结构相似性的方法，用于识别类药物化合物。
6. A Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Molecular Dynamics Simulations [O] . Timothy S. Carpenter, Daniel A. Kirshner, Edmond Y. Lau, 2014

机译：分子动力学模拟预测类药物化合物血脑屏障通透性的方法
7. A Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Molecular Dynamics Simulations [O] . Carpenter Timothy S., Kirshner Daniel A., Lau Edmond Y., 2014

机译：一种利用分子动力学模拟预测类药物化合物血脑屏障通透性的方法

A Simple Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Classification Trees

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