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Peter Gedeck

Showing results (1-10 of 36) with videos related to

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Journal of Chemical Information and Modeling|October 13, 2010
Leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data setsChristian Kramer, Peter Gedeck
Journal of Chemical Information and Modeling|February 23, 2011
Global free energy scoring functions based on distance-dependent atom-type pair descriptorsChristian Kramer, Peter Gedeck
Journal of Chemical Information and Modeling|June 1, 2011
Three descriptor model sets a high standard for the CSAR-NRC HiQ benchmarkChristian Kramer, Peter Gedeck
Journal of Computational Chemistry|May 1, 2012
Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependenceChristian Kramer, Peter Gedeck, Markus Meuwly
Journal of Chemical Information and Modeling|September 26, 2006
QSAR--how good is it in practice? Comparison of descriptor sets on an unbiased cross section of corporate data setsPeter Gedeck, Bernhard Rohde, Christian Bartels
Current Opinion in Drug Discovery & Development|July 5, 2008
Exploiting QSAR models in lead optimizationPeter Gedeck, Richard A Lewis
Journal of Chemical Information and Modeling|July 21, 2017
Developing Collaborative QSAR Models Without Sharing StructuresPeter Gedeck, Suzanne Skolnik, Stephane Rodde
Progress in Medicinal Chemistry|September 22, 2010
Computational analysis of structure-activity relationshipsPeter Gedeck, Christian Kramer, Peter Ertl
Journal of Chemical Theory and Computation|November 21, 2015
Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular ParametersChristian Kramer, Peter Gedeck, Markus Meuwly
Journal of Managed Care & Specialty Pharmacy|February 27, 2026
Predicting early discontinuation of adalimumab in patients with rheumatoid arthritis using machine learning: A specialty pharmacy-based approachAngie H Yoon, Peter Gedeck, Marlette Oelofsen
Pageof 4

Showing results (1-10 of 36) with videos related to

Sort By:
Pageof 4
Journal of Chemical Information and Modeling|October 13, 2010
Leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data setsChristian Kramer, Peter Gedeck
Journal of Chemical Information and Modeling|February 23, 2011
Global free energy scoring functions based on distance-dependent atom-type pair descriptorsChristian Kramer, Peter Gedeck
Journal of Chemical Information and Modeling|June 1, 2011
Three descriptor model sets a high standard for the CSAR-NRC HiQ benchmarkChristian Kramer, Peter Gedeck
Journal of Computational Chemistry|May 1, 2012
Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependenceChristian Kramer, Peter Gedeck, Markus Meuwly
Journal of Chemical Information and Modeling|September 26, 2006
QSAR--how good is it in practice? Comparison of descriptor sets on an unbiased cross section of corporate data setsPeter Gedeck, Bernhard Rohde, Christian Bartels
Current Opinion in Drug Discovery & Development|July 5, 2008
Exploiting QSAR models in lead optimizationPeter Gedeck, Richard A Lewis
Journal of Chemical Information and Modeling|July 21, 2017
Developing Collaborative QSAR Models Without Sharing StructuresPeter Gedeck, Suzanne Skolnik, Stephane Rodde
Progress in Medicinal Chemistry|September 22, 2010
Computational analysis of structure-activity relationshipsPeter Gedeck, Christian Kramer, Peter Ertl
Journal of Chemical Theory and Computation|November 21, 2015
Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular ParametersChristian Kramer, Peter Gedeck, Markus Meuwly
Journal of Managed Care & Specialty Pharmacy|February 27, 2026
Predicting early discontinuation of adalimumab in patients with rheumatoid arthritis using machine learning: A specialty pharmacy-based approachAngie H Yoon, Peter Gedeck, Marlette Oelofsen
Pageof 4