Christian Lemmen

21 papers Misc 1Journal 15Unranked 4

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays. J. Comput. Aided Mol. Des. Sophia M. N. Hönig, Torben Gutermuth, Christiane Ehrt, Christian Lemmen, Matthias Rarey
2024	J	`jnl`	SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces. J. Comput. Aided Mol. Des. Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt, Christian Lemmen, Matthias Rarey
2014	J	`jnl`	Accessing Open PHACTS: interactive exploration of compounds and targets from the semantic web. J. Cheminformatics Katrin Stierand, Tim Harder, Lothar Wissler, Christian Lemmen, Matthias Rarey
2012	J	`jnl`	Discovery of Novel Histamine H4 and Serotonin Transporter Ligands Using the Topological Feature Tree Descriptor. J. Chem. Inf. Model. Robert Kiss, Mark Sandor, Anikó Gere, Éva Schmidt, György Balogh, Béla Kiss, László Molnár, Christian Lemmen, György M. Keserü
2012	J	`jnl`	Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function. J. Comput. Aided Mol. Des. Nadine Schneider, Sally A. Hindle, Gudrun Lange, Robert Klein, Jürgen Albrecht, Hans Briem, Kristin Beyer, Holger Claußen, Marcus Gastreich, Christian Lemmen, Matthias Rarey
2011	J	`jnl`	HYDEing the false positives - scoring for lead optimization. J. Cheminformatics Nadine Schneider, Gudrun Lange, Robert Klein, Christian Lemmen, Matthias Rarey
2010	J	`jnl`	KnowledgeSpace - a publicly available virtual chemistry space. J. Cheminformatics Carsten Detering, Holger Claussen, Marcus Gastreich, Christian Lemmen
2009	J	`jnl`	Second-generation de novo design: a view from a medicinal chemist perspective. J. Comput. Aided Mol. Des. Andrea Zaliani, Krisztina Boda, Thomas Seidel, Achim Herwig, Christof H. Schwab, Johann Gasteiger, Holger Claussen, Christian Lemmen, Jörg Degen, Juri Pärn, Matthias Rarey
2003	J	`jnl`	A Novel Subshape Molecular Descriptor. J. Chem. Inf. Comput. Sci. Santosh Putta, John Eksterowicz, Christian Lemmen, Robert V. Stanton
2003	J	`jnl`	Active Learning with Support Vector Machines in the Drug Discovery Process. J. Chem. Inf. Comput. Sci. Manfred K. Warmuth, Jun Liao, Gunnar Rätsch, Michael Mathieson, Santosh Putta, Christian Lemmen
2003	J	`jnl`	Using Ensembles to Classify Compounds for Drug Discovery. J. Chem. Inf. Comput. Sci. J. Kevin Lanctôt, Santosh Putta, Christian Lemmen, Jonathan Greene
2002	J	`jnl`	A Novel Shape-Feature Based Approach to Virtual Library Screening. J. Chem. Inf. Comput. Sci. Santosh Putta, Christian Lemmen, Paul Beroza, Jonathan Greene
2001	—	`conf`	Active Learning in the Drug Discovery Process. NIPS Manfred K. Warmuth, Gunnar Rätsch, Michael Mathieson, Jun Liao, Christian Lemmen
2000	J	`jnl`	Computational methods for the structural alignment of molecules. J. Comput. Aided Mol. Des. Christian Lemmen, Thomas Lengauer
1999	Misc	`conf`	Application of Parameter Optimization to Molecular Comparison Problems. Pacific Symposium on Biocomputing Christian Lemmen, Alexander Zien, Ralf Zimmer, Thomas Lengauer
1999	—	`—`	Computational methods for the structural alignment of molecules. Christian Lemmen
1999	—	`conf`	Engineering Support Vector Machine Kerneis That Recognize Translation Initialion Sites. German Conference on Bioinformatics Alexander Zien, Gunnar Rätsch, Sebastian Mika, Bernhard Schölkopf, Christian Lemmen, Alexander J. Smola, Thomas Lengauer, Klaus-Robert Müller
1998	J	`jnl`	RigFit: A new approach to superimposing ligand molecules. J. Comput. Aided Mol. Des. Christian Lemmen, Claus Hiller, Thomas Lengauer
1997	—	`conf`	RigFit: a new approach to superimposing ligand molecules. German Conference on Bioinformatics Christian Lemmen, Claus Hiller, Thomas Lengauer
1997	J	`jnl`	Time-efficient flexible superposition of medium-sized molecules. J. Comput. Aided Mol. Des. Christian Lemmen, Thomas Lengauer
1996	—	`conf`	Time-Efficient Flexible Superposition of Medium-Sized Molecules and Molecular Fragments. German Conference on Bioinformatics Christian Lemmen, Thomas Lengauer