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2020 – today
- 2024
[j14]Sophia M. N. Hönig
, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt, Christian Lemmen, Matthias Rarey:
SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces. J. Comput. Aided Mol. Des. 38(1): 13 (2024)
2010 – 2019
- 2014
- [j13]Katrin Stierand, Tim Harder, Lothar Wissler, Christian Lemmen, Matthias Rarey:
Accessing Open PHACTS: interactive exploration of compounds and targets from the semantic web. J. Cheminformatics 6(S-1): 52 (2014) - 2012
- [j12]Nadine Schneider, Sally A. Hindle, Gudrun Lange, Robert Klein, Jürgen Albrecht, Hans Briem, Kristin Beyer, Holger Claußen, Marcus Gastreich, Christian Lemmen, Matthias Rarey:
Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function. J. Comput. Aided Mol. Des. 26(6): 701-723 (2012) - [j11]Robert Kiss, Mark Sandor, Anikó Gere, Éva Schmidt, György Balogh, Béla Kiss, László Molnár, Christian Lemmen, György M. Keserü:
Discovery of Novel Histamine H4 and Serotonin Transporter Ligands Using the Topological Feature Tree Descriptor. J. Chem. Inf. Model. 52(1): 233-242 (2012) - 2011
- [j10]Nadine Schneider, Gudrun Lange, Robert Klein, Christian Lemmen, Matthias Rarey:
HYDEing the false positives - scoring for lead optimization. J. Cheminformatics 3(S-1): 29 (2011) - 2010
- [j9]Carsten Detering, Holger Claussen, Marcus Gastreich, Christian Lemmen:
KnowledgeSpace - a publicly available virtual chemistry space. J. Cheminformatics 2(S-1): 9 (2010)
2000 – 2009
- 2009
- [j8]Andrea Zaliani, Krisztina Boda, Thomas Seidel, Achim Herwig, Christof H. Schwab, Johann Gasteiger, Holger Claussen, Christian Lemmen, Jörg Degen, Juri Pärn, Matthias Rarey:
Second-generation de novo design: a view from a medicinal chemist perspective. J. Comput. Aided Mol. Des. 23(8): 593-602 (2009) - 2003
- [j7]Manfred K. Warmuth, Jun Liao, Gunnar Rätsch, Michael Mathieson, Santosh Putta, Christian Lemmen:
Active Learning with Support Vector Machines in the Drug Discovery Process. J. Chem. Inf. Comput. Sci. 43(2): 667-673 (2003) - [j6]Santosh Putta, John Eksterowicz, Christian Lemmen, Robert V. Stanton:
A Novel Subshape Molecular Descriptor. J. Chem. Inf. Comput. Sci. 43(5): 1623-1635 (2003) - [j5]J. Kevin Lanctôt, Santosh Putta, Christian Lemmen, Jonathan Greene:
Using Ensembles to Classify Compounds for Drug Discovery. J. Chem. Inf. Comput. Sci. 43(6): 2163-2169 (2003) - 2002
- [j4]Santosh Putta, Christian Lemmen, Paul Beroza, Jonathan Greene:
A Novel Shape-Feature Based Approach to Virtual Library Screening. J. Chem. Inf. Comput. Sci. 42(5): 1230-1240 (2002) - 2001
- [c5]Manfred K. Warmuth, Gunnar Rätsch, Michael Mathieson, Jun Liao, Christian Lemmen:
Active Learning in the Drug Discovery Process. NIPS 2001: 1449-1456 - 2000
- [j3]Christian Lemmen, Thomas Lengauer:
Computational methods for the structural alignment of molecules. J. Comput. Aided Mol. Des. 14(3): 215-232 (2000)
1990 – 1999
- 1999
- [b1]Christian Lemmen:
Computational methods for the structural alignment of molecules. University of Bonn, Germany, GMD-Forschungszentrum Informationstechnik 1999, ISBN 978-3-88457-350-1, pp. 1-126 - [c4]Alexander Zien, Gunnar Rätsch, Sebastian Mika, Bernhard Schölkopf, Christian Lemmen, Alexander J. Smola, Thomas Lengauer, Klaus-Robert Müller:
Engineering Support Vector Machine Kerneis That Recognize Translation Initialion Sites. German Conference on Bioinformatics 1999: 37-43 - [c3]Christian Lemmen, Alexander Zien, Ralf Zimmer, Thomas Lengauer:
Application of Parameter Optimization to Molecular Comparison Problems. Pacific Symposium on Biocomputing 1999: 482-493 - 1998
- [j2]Christian Lemmen, Claus Hiller, Thomas Lengauer:
RigFit: A new approach to superimposing ligand molecules. J. Comput. Aided Mol. Des. 12(5): 491-502 (1998) - 1997
- [j1]Christian Lemmen, Thomas Lengauer:
Time-efficient flexible superposition of medium-sized molecules. J. Comput. Aided Mol. Des. 11(4): 357-368 (1997) - [c2]Christian Lemmen, Claus Hiller, Thomas Lengauer:
RigFit: a new approach to superimposing ligand molecules. German Conference on Bioinformatics 1997: 103-105 - 1996
- [c1]Christian Lemmen, Thomas Lengauer:
Time-Efficient Flexible Superposition of Medium-Sized Molecules and Molecular Fragments. German Conference on Bioinformatics 1996: 257-259
Coauthor Index
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