Self-Organizing Maps for Identification of New Inhibitors of P-Glycoprotein
TitleSelf-Organizing Maps for Identification of New Inhibitors of P-Glycoprotein
Publication TypeJournal Article
Year of Publication2007
AuthorsKaiser D, Terfloth L, Kopp S, Schulz J, de Laet R, Chiba P, Ecker GF, Gasteiger J
JournalJ. Med. Chem.
Volume50
Issue7
Pagination1698 - 1702
Date Published04/2007
ISSN0022-2623
Abstract

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.

DOI10.1021/jm060604z
Short TitleJ. Med. Chem.