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Journal of Cheminformatics|November 13, 2025
How evaluation choices distort the outcome of generative drug discoveryRıza Özçelik, Francesca Grisoni
Molecular Informatics|August 4, 2016
Future De Novo Drug DesignGisbert Schneider
Future Medicinal Chemistry|October 24, 2012
Interview: interview with Gisbert SchneiderGisbert Schneider
Journal of Computer-Aided Molecular Design|December 1, 2011
Designing the molecular futureGisbert Schneider
Nature Reviews. Drug Discovery|December 16, 2017
Automating drug discoveryGisbert Schneider
Nature Reviews. Drug Discovery|April 2, 2010
Virtual screening: an endless staircase?Gisbert Schneider
Current Medicinal Chemistry|December 10, 2002
Trends in virtual combinatorial library designGisbert Schneider
Chimia|May 2, 2012
From theory to bench experiment by computer-assisted drug designGisbert Schneider
Drug Discovery Today. Technologies|January 24, 2014
De novo design - hop(p)ing against hopeGisbert Schneider
Bioorganic & Medicinal Chemistry|May 3, 2015
Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like propertiesDaniel Flesch, Matthias Gabler, Andreas Lill, et al.
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