Searching for drug scaffolds with 3D pharmacophores and neural network ensembles.
Renner
Steffen
S
Chemical R&D, Medicinal Chemistry/Cheminformatics, Merz Pharmaceuticals GmbH, Eckenheimer Landstrasse 100, 60318 Frankfurt am Main, Germany.
Hechenberger
Mirko
M
Noeske
Tobias
T
Böcker
Alexander
A
Jatzke
Claudia
C
Schmuker
Michael
M
Parsons
Christopher G
CG
Weil
Tanja
T
Schneider
Gisbert
G
D000818:Animals; D006801:Humans; D015394:Molecular Structure; D016571:Neural Networks, Computer; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D017470:Receptors, Glutamate / Q000737:chemistry / Q000378:metabolism
D004364:Pharmaceutical Preparations; D017470:Receptors, Glutamate