title: From Virtual Screening to Bioactive Compounds by Visualizing and Clustering of Chemical Space.
authors.affiliation: ETH, Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland.
authors.forename: Alexander
authors.initials: A
authors.lastname: Klenner
authors.affiliation: ETH, Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland.
authors.forename: Volker
authors.initials: V
authors.lastname: Hähnke
authors.affiliation: ETH, Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland.
authors.forename: Tim
authors.initials: T
authors.lastname: Geppert
authors.affiliation: ETH, Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland.
authors.forename: Petra
authors.initials: P
authors.lastname: Schneider
authors.affiliation: ETH, Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland.
authors.forename: Heiko
authors.initials: H
authors.lastname: Zettl
authors.affiliation: ETH, Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland.
authors.forename: Sarah
authors.initials: S
authors.lastname: Haller
authors.affiliation: ETH, Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland.
authors.forename: Tiago
authors.initials: T
authors.lastname: Rodrigues
authors.affiliation: ETH, Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland.
authors.forename: Felix
authors.initials: F
authors.lastname: Reisen
authors.affiliation: Paris-Lodron University, Department of Molecular Biology, Division of Microbiology, Billroth Str. 11, A-5020 Salzburg, Austria.
authors.forename: Benjamin
authors.initials: B
authors.lastname: Hoy
authors.affiliation: University of Jena, Institute of Pharmacy, Philosophenweg 14, D-07743 Jena, Germany.
authors.forename: Anja Maria
authors.initials: AM
authors.lastname: Schaible
authors.affiliation: University of Jena, Institute of Pharmacy, Philosophenweg 14, D-07743 Jena, Germany.
authors.forename: Oliver
authors.initials: O
authors.lastname: Werz
authors.affiliation: Paris-Lodron University, Department of Molecular Biology, Division of Microbiology, Billroth Str. 11, A-5020 Salzburg, Austria.
authors.forename: Silja
authors.initials: S
authors.lastname: Wessler
authors.affiliation: ETH, Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland. gisbert.schneider@pharma.ethz.ch.
authors.forename: Gisbert
authors.initials: G
authors.lastname: Schneider
keywords: Drug discovery; Enzyme inhibitor; Helicobacter pylori; Pseudoreceptor; Target prediction; Virtual screening