Christian Lemmen

According to our database, Christian Lemmen authored at least 19 papers between 1996 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces.

Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt, Christian Lemmen, Matthias Rarey

J. Comput. Aided Mol. Des., December, 2024

2014

Accessing Open PHACTS: interactive exploration of compounds and targets from the semantic web.

Katrin Stierand, Tim Harder, Lothar Wissler, Christian Lemmen, Matthias Rarey

J. Cheminformatics, 2014

2012

Discovery of Novel Histamine H4 and Serotonin Transporter Ligands Using the Topological Feature Tree Descriptor.

Robert Kiss, Mark Sandor, Anikó Gere, Éva Schmidt, György Balogh, Béla Kiss, László Molnár, Christian Lemmen, György M. Keserü

J. Chem. Inf. Model., 2012

Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function.

Nadine Schneider, Sally A. Hindle, Gudrun Lange, Robert Klein, Jürgen Albrecht, Hans Briem, Kristin Beyer, Holger Claußen, Marcus Gastreich, Christian Lemmen, Matthias Rarey

J. Comput. Aided Mol. Des., 2012

2011

HYDEing the false positives - scoring for lead optimization.

Nadine Schneider, Gudrun Lange, Robert Klein, Christian Lemmen, Matthias Rarey

J. Cheminformatics, 2011

2010

KnowledgeSpace - a publicly available virtual chemistry space.

Carsten Detering, Holger Claussen, Marcus Gastreich, Christian Lemmen

J. Cheminformatics, 2010

2009

Second-generation de novo design: a view from a medicinal chemist perspective.

Andrea Zaliani, Krisztina Boda, Thomas Seidel, Achim Herwig, Christof H. Schwab, Johann Gasteiger, Holger Claussen, Christian Lemmen, Jörg Degen, Juri Pärn, Matthias Rarey

J. Comput. Aided Mol. Des., 2009

2003

Active Learning with Support Vector Machines in the Drug Discovery Process.

Manfred K. Warmuth, Jun Liao, Gunnar Rätsch, Michael Mathieson, Santosh Putta, Christian Lemmen

J. Chem. Inf. Comput. Sci., 2003

A Novel Subshape Molecular Descriptor.

Santosh Putta, John Eksterowicz, Christian Lemmen, Robert V. Stanton

J. Chem. Inf. Comput. Sci., 2003

Using Ensembles to Classify Compounds for Drug Discovery.

J. Kevin Lanctôt, Santosh Putta, Christian Lemmen, Jonathan Greene

J. Chem. Inf. Comput. Sci., 2003

2002

A Novel Shape-Feature Based Approach to Virtual Library Screening.

Santosh Putta, Christian Lemmen, Paul Beroza, Jonathan Greene

J. Chem. Inf. Comput. Sci., 2002

2001

Active Learning in the Drug Discovery Process.

Manfred K. Warmuth, Gunnar Rätsch, Michael Mathieson, Jun Liao, Christian Lemmen

Proceedings of the Advances in Neural Information Processing Systems 14 [Neural Information Processing Systems: Natural and Synthetic, 2001

2000

Computational methods for the structural alignment of molecules.

Christian Lemmen, Thomas Lengauer

J. Comput. Aided Mol. Des., 2000

1999

Computational methods for the structural alignment of molecules.

Christian Lemmen

PhD thesis, 1999

Application of Parameter Optimization to Molecular Comparison Problems.

Christian Lemmen, Alexander Zien, Ralf Zimmer, Thomas Lengauer

Proceedings of the 4th Pacific Symposium on Biocomputing, 1999

Engineering Support Vector Machine Kerneis That Recognize Translation Initialion Sites.

Alexander Zien, Gunnar Rätsch, Sebastian Mika, Bernhard Schölkopf, Christian Lemmen, Alexander J. Smola, Thomas Lengauer, Klaus-Robert Müller

Proceedings of the German Conference on Bioinformatics, 1999

1998

RigFit: A new approach to superimposing ligand molecules.

Christian Lemmen, Claus Hiller, Thomas Lengauer

J. Comput. Aided Mol. Des., 1998

1997

Time-efficient flexible superposition of medium-sized molecules.

Christian Lemmen, Thomas Lengauer

J. Comput. Aided Mol. Des., 1997

1996

Time-Efficient Flexible Superposition of Medium-Sized Molecules and Molecular Fragments.

Christian Lemmen, Thomas Lengauer

Proceedings of the German Conference on Bioinformatics, 1996