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Journal of Chemical Information and Modeling|November 28, 2006
NIPALSTREE: a new hierarchical clustering approach for large compound libraries and its application to virtual screeningAlexander Böcker, Gisbert Schneider, Andreas TeckentrupChemistry Central Journal|September 21, 2007
PocketPicker: analysis of ligand binding-sites with shape descriptorsMartin Weisel, Ewgenij Proschak, Gisbert SchneiderBMC Bioinformatics|March 15, 2006
Optimized Particle Swarm Optimization (OPSO) and its application to artificial neural network trainingMichael Meissner, Michael Schmuker, Gisbert SchneiderAngewandte Chemie (International Ed. in English)|May 8, 2014
Accessing new chemical entities through microfluidic systemsTiago Rodrigues, Petra Schneider, Gisbert SchneiderCell Communication and Signaling : CCS|January 11, 2017
Bacterial serine protease HtrA as a promising new target for antimicrobial therapy?Silja Wessler, Gisbert Schneider, Steffen BackertJournal of Chemical Information and Modeling|November 8, 2007
Kernel approach to molecular similarity based on iterative graph similarityMatthias Rupp, Ewgenij Proschak, Gisbert SchneiderNature Communications|July 22, 2024
Chemical language modeling with structured state space sequence modelsRıza Özçelik, Sarah de Ruiter, Emanuele Criscuolo, et al.Digital Discovery|September 8, 2025
Going beyond SMILES enumeration for data augmentation in generative drug discoveryHelena Brinkmann, Antoine Argante, Hugo Ter Steege, et al.Natural Product Reports|September 30, 2008
Scaffold diversity of natural products: inspiration for combinatorial library designKristina Grabowski, Karl-Heinz Baringhaus, Gisbert SchneiderCurrent Pharmaceutical Design|March 13, 2010
Concepts and applications of "natural computing" techniques in de novo drug and peptide designJan A Hiss, Markus Hartenfeller, Gisbert SchneiderPageof 34