Development of a Virtual Screening Method for Identification of “Frequent Hitters” in Compound Libraries

Olivier Roche, Petra Schneider, Jochen Zuegge, Wolfgang Guba, Manfred Kansy, Alexander Alanine, Konrad Bleicher, Franck Danel, Eva-Maria Gutknecht, Mark Rogers-Evans, Werner Neidhart, Henri Stalder, Michael Dillon, Eric Sjögren, Nader Fotouhi, Paul Gillespie, Robert Goodnow, William Harris, Phil Jones, Mikio Taniguchi, Shinji Tsujii, Wolfgang von der Saal, Gerd Zimmermann, Gisbert Schneider

doi:10.1021/jm010934d

Development of a Virtual Screening Method for Identification of “Frequent Hitters” in Compound Libraries

DOI Web Site 5 Citations

Olivier Roche

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Petra Schneider

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Jochen Zuegge

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Wolfgang Guba

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Manfred Kansy

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Alexander Alanine

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Konrad Bleicher

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Franck Danel

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Eva-Maria Gutknecht

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Mark Rogers-Evans

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Werner Neidhart

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Henri Stalder

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Michael Dillon

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Eric Sjögren

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Nader Fotouhi

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Paul Gillespie

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Robert Goodnow

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
William Harris

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Phil Jones

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Mikio Taniguchi

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Shinji Tsujii

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Wolfgang von der Saal

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Gerd Zimmermann

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany
Gisbert Schneider

F. Hoffmann-La Roche AG, CH-4070 Basel, Switzerland, Roche Bioscience, 3401 Hillview Avenue, Palo Alto, California 94304, Hoffmann-La Roche, Inc., Nutley, New Jersey 07110-1199, Roche Products, Ltd., Welwyn Garden City, Hertfordshire AL7 3AY, U.K., Nippon Roche K.K., 200 Kajiwara, Kamakura City, Kanagawa Prefecture 247-8530, Japan, and Roche Diagnostics GmbH, Sandhoferstrasse 116, DE-68305 Mannheim, Germany

Journal

Journal of Medicinal Chemistry

Journal of Medicinal Chemistry 45 (1), 137-142, 2001-12-04

American Chemical Society (ACS)

Citations (5)*help

Details 詳細情報について

CRID

1363951793863336192
DOI

10.1021/jm010934d
ISSN

15204804

00222623
Web Site

https://pubs.acs.org/doi/pdf/10.1021/jm010934d
Data Source
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