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Journal of Chemical Information and Modeling|December 19, 2008
Reaction-MQL: line notation for functional transformationFelix H Reisen, Gisbert Schneider, Ewgenij ProschakChemosphere|February 24, 2015
QSAR models for bioconcentration: is the increase in the complexity justified by more accurate predictions?Francesca Grisoni, Viviana Consonni, Sara Villa, et al.Molecules (Basel, Switzerland)|July 2, 2020
Verification of Chromatographic Profile of Primary Essential Oil of Pinus sylvestris L. Combined with Chemometric AnalysisMartina Allenspach, Claudia Valder, Daniela Flamm, et al.Chembiochem : a European Journal of Chemical Biology|January 14, 2010
Architectural repertoire of ligand-binding pockets on protein surfacesMartin Weisel, Jan M Kriegl, Gisbert SchneiderJournal of Computer-Aided Molecular Design|November 6, 2009
Comparative virtual screening and novelty detection for NMDA-GlycineB antagonistsBjoern A Krueger, Tanja Weil, Gisbert SchneiderChimia|December 9, 2023
Generating Bioactive Natural Product-inspired Molecules with Machine IntelligencePetra Schneider, Karl-Heinz Altmann, Gisbert SchneiderMolecular Informatics|August 6, 2016
Deep Learning in Drug DiscoveryErik Gawehn, Jan A Hiss, Gisbert SchneiderEnvironmental Research|May 7, 2016
Expert QSAR system for predicting the bioconcentration factor under the REACH regulationFrancesca Grisoni, Viviana Consonni, Marco Vighi, et al.Environment International|January 14, 2016
Investigating the mechanisms of bioconcentration through QSAR classification treesFrancesca Grisoni, Viviana Consonni, Marco Vighi, et al.Toxicology and Applied Pharmacology|September 22, 2020
NURA: A curated dataset of nuclear receptor modulatorsCecile Valsecchi, Francesca Grisoni, Stefano Motta, et al.Pageof 34