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ACS Medicinal Chemistry Letters
|
October 18, 2019
Comparison of Large Chemical Spaces
Uta Lessel, Christian Lemmen
Journal of Chemical Information and Computer Sciences
|
September 23, 2003
A novel subshape molecular descriptor
Santosh Putta, John Eksterowicz, Christian Lemmen, et al.
Drug Discovery Today
|
February 6, 2004
Novel technologies for virtual screening
Thomas Lengauer, Christian Lemmen, Matthias Rarey, et al.
Journal of Chemical Information and Computer Sciences
|
October 16, 2002
A novel shape-feature based approach to virtual library screening
Santosh Putta, Christian Lemmen, Paul Beroza, et al.
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
Using ensembles to classify compounds for drug discovery
J Kevin Lanctot, Santosh Putta, Christian Lemmen, et al.
Journal of Medicinal Chemistry
|
April 3, 2008
Similarity searching and scaffold hopping in synthetically accessible combinatorial chemistry spaces
Markus Boehm, Tong-Ying Wu, Holger Claussen, et al.
Journal of Computer-Aided Molecular Design
|
December 4, 2024
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays
Sophia M N Hönig, Torben Gutermuth, Christiane Ehrt, et al.
Molecular Informatics
|
January 8, 2013
The Internet as Scientific Knowledge Base: Navigating the Chem-Bio Space
Katrin Stierand, Tim Harder, Thomas Marek, et al.
Current Drug Discovery Technologies
|
February 14, 2006
The FlexX database docking environment--rational extraction of receptor based pharmacophores
Holger Claussen, Marcus Gastreich, Volker Apelt, et al.
Journal of Chemical Information and Computer Sciences
|
March 26, 2003
Active learning with support vector machines in the drug discovery process
Manfred K Warmuth, Jun Liao, Gunnar Rätsch, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
ACS Medicinal Chemistry Letters
|
October 18, 2019
Comparison of Large Chemical Spaces
Uta Lessel, Christian Lemmen
Journal of Chemical Information and Computer Sciences
|
September 23, 2003
A novel subshape molecular descriptor
Santosh Putta, John Eksterowicz, Christian Lemmen, et al.
Drug Discovery Today
|
February 6, 2004
Novel technologies for virtual screening
Thomas Lengauer, Christian Lemmen, Matthias Rarey, et al.
Journal of Chemical Information and Computer Sciences
|
October 16, 2002
A novel shape-feature based approach to virtual library screening
Santosh Putta, Christian Lemmen, Paul Beroza, et al.
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
Using ensembles to classify compounds for drug discovery
J Kevin Lanctot, Santosh Putta, Christian Lemmen, et al.
Journal of Medicinal Chemistry
|
April 3, 2008
Similarity searching and scaffold hopping in synthetically accessible combinatorial chemistry spaces
Markus Boehm, Tong-Ying Wu, Holger Claussen, et al.
Journal of Computer-Aided Molecular Design
|
December 4, 2024
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays
Sophia M N Hönig, Torben Gutermuth, Christiane Ehrt, et al.
Molecular Informatics
|
January 8, 2013
The Internet as Scientific Knowledge Base: Navigating the Chem-Bio Space
Katrin Stierand, Tim Harder, Thomas Marek, et al.
Current Drug Discovery Technologies
|
February 14, 2006
The FlexX database docking environment--rational extraction of receptor based pharmacophores
Holger Claussen, Marcus Gastreich, Volker Apelt, et al.
Journal of Chemical Information and Computer Sciences
|
March 26, 2003
Active learning with support vector machines in the drug discovery process
Manfred K Warmuth, Jun Liao, Gunnar Rätsch, et al.
Page
of 2