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Bioinformatics Advances|April 2, 2025
peptidy: a light-weight Python library for peptide representation in machine learningRıza Özçelik, Laura van Weesep, Sarah de Ruiter, et al.Methods in Molecular Biology (Clifton, N.J.)|September 24, 2022
Machine Learning and Computational Chemistry for the Endocannabinoid SystemKenneth Atz, Wolfgang Guba, Uwe Grether, et al.Journal of Chemical Information and Computer Sciences|November 25, 2003
Comparison of support vector machine and artificial neural network systems for drug/nondrug classificationEvgeny Byvatov, Uli Fechner, Jens Sadowski, et al.Chemistry & Biology|March 29, 2011
Context-based identification of protein-protein interfaces and "hot-spot" residuesTim Geppert, Benjamin Hoy, Silja Wessler, et al.Journal of Chemical Information and Modeling|January 23, 2018
Recurrent Neural Network Model for Constructive Peptide DesignAlex T Müller, Jan A Hiss, Gisbert SchneiderTrends in Pharmacological Sciences|July 2, 2010
Exploring the chemical space of gamma-secretase modulatorsHeiko Zettl, Sascha Weggen, Petra Schneider, et al.Angewandte Chemie (International Ed. in English)|November 28, 2013
Combining on-chip synthesis of a focused combinatorial library with computational target prediction reveals imidazopyridine GPCR ligandsMichael Reutlinger, Tiago Rodrigues, Petra Schneider, et al.Angewandte Chemie (International Ed. in English)|March 14, 2014
Multi-objective molecular de novo design by adaptive fragment prioritizationMichael Reutlinger, Tiago Rodrigues, Petra Schneider, et al.Proceedings of the National Academy of Sciences of the United States of America|March 5, 2014
Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensusDaniel Reker, Tiago Rodrigues, Petra Schneider, et al.Cell Cycle (Georgetown, Tex.)|February 9, 2011
Fate of primary cells at the G₁/S boundary after polo-like kinase 1 inhibition by SBE13Sarah Keppner, Ewgenij Proschak, Gisbert Schneider, et al.Pageof 34