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

Authors :
Kaiser D
Terfloth L
Kopp S
Schulz J
de Laet R
Chiba P
Ecker GF
Gasteiger J
Source :
Journal of medicinal chemistry [J Med Chem] 2007 Apr 05; Vol. 50 (7), pp. 1698-702. Date of Electronic Publication: 2007 Mar 13.
Publication Year :
2007

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.

Details

Language :
English
ISSN :
0022-2623
Volume :
50
Issue :
7
Database :
MEDLINE
Journal :
Journal of medicinal chemistry
Publication Type :
Academic Journal
Accession number :
17352460
Full Text :
https://doi.org/10.1021/jm060604z