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Journal of Chemical Information and Modeling|March 28, 2006
Flux (1): a virtual synthesis scheme for fragment-based de novo designUli Fechner, Gisbert SchneiderMolecular Informatics|May 26, 2018
Polypharmacological Drug-target Inference for ChemogenomicsPetra Schneider, Gisbert SchneiderJournal of Computational Chemistry|February 18, 2011
Pharmacophore alignment search tool: influence of scoring systems on text-based similarity searchingVolker Hähnke, Gisbert SchneiderJournal of Molecular Modeling|April 7, 2004
Impact of descriptor vector scaling on the classification of drugs and nondrugs with artificial neural networksAlireza Givehchi, Gisbert SchneiderDrug Discovery Today|December 16, 2014
Active-learning strategies in computer-assisted drug discoveryDaniel Reker, Gisbert SchneiderAngewandte Chemie (International Ed. in English)|July 14, 2017
A Computational Method for Unveiling the Target Promiscuity of Pharmacologically Active CompoundsPetra Schneider, Gisbert SchneiderMethods in Molecular Biology (Clifton, N.J.)|December 7, 2018
In Silico Target Prediction for Small MoleculesRyan Byrne, Gisbert SchneiderNature Computational Science|January 4, 2024
Designing molecules with autoencoder networksAgnieszka Ilnicka, Gisbert SchneiderJournal of Chemical Information and Computer Sciences|May 25, 2004
SVM-based feature selection for characterization of focused compound collectionsEvgeny Byvatov, Gisbert SchneiderMolecular Informatics|July 28, 2016
Graph Kernels for Molecular SimilarityMatthias Rupp, Gisbert SchneiderPageof 34