Self-organizing maps for identification of new inhibitors of P-glycoprotein

被引：51

作者：

Kaiser, Dominik

Terfloth, Lothar

Kopp, Stephan

Schulz, Jan

de Laet, Randolf

Chiba, Peter

Ecker, Gerhard F.

Gasteiger, Johann

机构：

[1] Univ Vienna, Dept Med Chem, A-1090 Vienna, Austria

[2] Univ Erlangen Nurnberg, Inst Organ Chem, Comp Chem Ctr, D-8520 Erlangen, Germany

[3] Med Univ Vienna, Inst Med Chem, A-1090 Vienna, Austria

[4] SPECS & BioSPECS BV, NL-2289 CP Rijswijk, Netherlands

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2007年 / 50卷 / 07期

基金：

奥地利科学基金会;

关键词：

D O I：

10.1021/jm060604z

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Self-organizing maps were trained to separate high- and low-active propafenone-type inhibitors of P-glycoprotein. The trained maps were subsequently used to identify highly active compounds in a virtual screen of the SPECS compound library.

引用

页码：1698 / 1702

页数：5

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