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Current Opinion in Structural Biology|April 26, 2024
Deep learning for low-data drug discovery: Hurdles and opportunitiesDerek van Tilborg, Helena Brinkmann, Emanuele Criscuolo, et al.Combinatorial Chemistry & High Throughput Screening|May 16, 2009
Scaffold-hopping potential of fragment-based de novo design: the chances and limits of variationBjoern A Krueger, Axel Dietrich, Karl-Heinz Baringhaus, et al.Journal of Chemical Information and Modeling|July 28, 2005
A hierarchical clustering approach for large compound librariesAlexander Böcker, Swetlana Derksen, Elena Schmidt, et al.Journal of Computer-Aided Molecular Design|February 15, 2011
Local neighborhood behavior in a combinatorial library contextDragos Horvath, Christian Koch, Gisbert Schneider, et al.Molecular Informatics|August 3, 2016
Computational Resources for MHC Ligand IdentificationChristian P Koch, Max Pillong, Jan A Hiss, et al.Analytical Chemistry|September 21, 2021
Bioaffinity Screening with a Rapid and Sample-Efficient Autosampler for Native Electrospray Ionization Mass SpectrometryJérôme Kaeslin, Cyrill Brunner, Sahar Ghiasikhou, et al.Nature Reviews. Drug Discovery|December 8, 2023
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSARAlexander Tropsha, Olexandr Isayev, Alexandre Varnek, et al.Journal of Cheminformatics|March 26, 2024
Effectiveness of molecular fingerprints for exploring the chemical space of natural productsDavide Boldini, Davide Ballabio, Viviana Consonni, et al.Molecular Informatics|January 15, 2021
Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase InhibitorsPetra Schneider, Martin Welin, Bo Svensson, et al.Applied and Environmental Microbiology|March 7, 2003
Improved anaerobic use of arginine by Saccharomyces cerevisiaeOlga Martin, Marjorie C Brandriss, Gisbert Schneider, et al.Pageof 34