2003 |
12 | EE | Manfred K. Warmuth,
Jun Liao,
Gunnar Rätsch,
Michael Mathieson,
Santosh Putta,
Christian Lemmen:
Active Learning with Support Vector Machines in the Drug Discovery Process.
Journal of Chemical Information and Computer Sciences 43(2): 667-673 (2003) |
11 | EE | Santosh Putta,
John Eksterowicz,
Christian Lemmen,
Robert Stanton:
A Novel Subshape Molecular Descriptor.
Journal of Chemical Information and Computer Sciences 43(5): 1623-1635 (2003) |
10 | EE | J. Kevin Lanctot,
Santosh Putta,
Christian Lemmen,
Jonathan Greene:
Using Ensembles to Classify Compounds for Drug Discovery.
Journal of Chemical Information and Computer Sciences 43(6): 2163-2169 (2003) |
2002 |
9 | EE | Santosh Putta,
Christian Lemmen,
Paul Beroza,
Jonathan Greene:
A Novel Shape-Feature Based Approach to Virtual Library Screening.
Journal of Chemical Information and Computer Sciences 42(5): 1230-1240 (2002) |
2001 |
8 | EE | Manfred K. Warmuth,
Gunnar Rätsch,
Michael Mathieson,
Jun Liao,
Christian Lemmen:
Active Learning in the Drug Discovery Process.
NIPS 2001: 1449-1456 |
2000 |
7 | EE | Christian Lemmen,
Thomas Lengauer:
Computational methods for the structural alignment of molecules.
Journal of Computer-Aided Molecular Design 14(3): 215-232 (2000) |
1999 |
6 | | Alexander Zien,
Gunnar Rätsch,
Sebastian Mika,
Bernhard Schölkopf,
Christian Lemmen,
Alex J. Smola,
Thomas Lengauer,
Klaus-Robert Müller:
Engineering Support Vector Machine Kerneis That Recognize Translation Initialion Sites.
German Conference on Bioinformatics 1999: 37-43 |
5 | EE | Christian Lemmen,
Alexander Zien,
Ralf Zimmer,
Thomas Lengauer:
Application of Parameter Optimization to Molecular Comparison Problems.
Pacific Symposium on Biocomputing 1999: 482-493 |
1998 |
4 | EE | Christian Lemmen,
Claus Hiller,
Thomas Lengauer:
RigFit: A new approach to superimposing ligand molecules.
Journal of Computer-Aided Molecular Design 12(5): 491-502 (1998) |
1997 |
3 | | Christian Lemmen,
Claus Hiller,
Thomas Lengauer:
RigFit: a new approach to superimposing ligand molecules.
German Conference on Bioinformatics 1997: 103-105 |
2 | EE | Christian Lemmen,
Thomas Lengauer:
Time-efficient flexible superposition of medium-sized molecules.
Journal of Computer-Aided Molecular Design 11(4): 357-368 (1997) |
1996 |
1 | | Christian Lemmen,
Thomas Lengauer:
Time-Efficient Flexible Superposition of Medium-Sized Molecules and Molecular Fragments.
German Conference on Bioinformatics 1996: 257-259 |