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Journal of Chemical Information and Modeling
|
May 18, 2018
mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets
Andrew Dalke, Jérôme Hert, Christian Kramer
Journal of Chemical Information and Modeling
|
May 2, 2017
Matched Molecular Series: Measuring SAR Similarity
Emanuel S R Ehmki, Christian Kramer
Progress in Medicinal Chemistry
|
September 22, 2010
Computational analysis of structure-activity relationships
Peter Gedeck, Christian Kramer, Peter Ertl
Molecular Informatics
|
August 3, 2016
Quality Issues with Public Domain Chemogenomics Data
Tuomo Kalliokoski, Christian Kramer, Anna Vulpetti
Journal of Chemical Information and Modeling
|
May 6, 2020
Matched Molecular Series Analysis for ADME Property Prediction
Mahendra Awale, Sereina Riniker, Christian Kramer
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 Parameters
Christian Kramer, Peter Gedeck, Markus Meuwly
Journal of Chemical Information and Modeling
|
January 22, 2010
Insolubility classification with accurate prediction probabilities using a MetaClassifier
Christian Kramer, Bernd Beck, Timothy Clark
Journal of Chemical Theory and Computation
|
November 21, 2015
Charge Anisotropy: Where Atomic Multipoles Matter Most
Christian Kramer, Alexander Spinn, Klaus R Liedl
Journal of Chemical Information and Modeling
|
March 12, 2015
Strong nonadditivity as a key structure-activity relationship feature: distinguishing structural changes from assay artifacts
Christian Kramer, Julian E Fuchs, Klaus R Liedl
Drug Discovery Today
|
April 12, 2016
A comprehensive company database analysis of biological assay variability
Christian Kramer, Göran Dahl, Christian Tyrchan, et al.
Page
of 7
Search research articles
Search
Showing results (11-20 of 61) with videos related to
Sort By:
Page
of 7
Journal of Chemical Information and Modeling
|
May 18, 2018
mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets
Andrew Dalke, Jérôme Hert, Christian Kramer
Journal of Chemical Information and Modeling
|
May 2, 2017
Matched Molecular Series: Measuring SAR Similarity
Emanuel S R Ehmki, Christian Kramer
Progress in Medicinal Chemistry
|
September 22, 2010
Computational analysis of structure-activity relationships
Peter Gedeck, Christian Kramer, Peter Ertl
Molecular Informatics
|
August 3, 2016
Quality Issues with Public Domain Chemogenomics Data
Tuomo Kalliokoski, Christian Kramer, Anna Vulpetti
Journal of Chemical Information and Modeling
|
May 6, 2020
Matched Molecular Series Analysis for ADME Property Prediction
Mahendra Awale, Sereina Riniker, Christian Kramer
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 Parameters
Christian Kramer, Peter Gedeck, Markus Meuwly
Journal of Chemical Information and Modeling
|
January 22, 2010
Insolubility classification with accurate prediction probabilities using a MetaClassifier
Christian Kramer, Bernd Beck, Timothy Clark
Journal of Chemical Theory and Computation
|
November 21, 2015
Charge Anisotropy: Where Atomic Multipoles Matter Most
Christian Kramer, Alexander Spinn, Klaus R Liedl
Journal of Chemical Information and Modeling
|
March 12, 2015
Strong nonadditivity as a key structure-activity relationship feature: distinguishing structural changes from assay artifacts
Christian Kramer, Julian E Fuchs, Klaus R Liedl
Drug Discovery Today
|
April 12, 2016
A comprehensive company database analysis of biological assay variability
Christian Kramer, Göran Dahl, Christian Tyrchan, et al.
Page
of 7