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

ID: ALA1142990

Journal: J Med Chem

Title: 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.

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.

CiteXplore: 17352460

DOI: 10.1021/jm060604z

Patent ID: ┄