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