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Journal of Chemical Information and Computer Sciences
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February 22, 2002
An alignment-independent versatile structure descriptor for QSAR and QSPR based on the distribution of molecular features
Knut Baumann
Pharmazie in Unserer Zeit
|
April 5, 2005
[New microtubule stabilizers]
Knut Baumann
Journal of Chemical Information and Modeling
|
June 1, 2005
Structure-based validation of the 3D-QSAR technique MaP
Nikolaus Stiefl, Knut Baumann
Molecular Informatics
|
January 27, 2017
Big Data and Deep Learning: A New Age of Molecular Informatics?
Knut Baumann, Gisbert Schneider
Journal of Chemical Information and Modeling
|
May 23, 2014
inSARa: intuitive and interactive SAR interpretation by reduced graphs and hierarchical MCS-based network navigation
Sabrina Wollenhaupt, Knut Baumann
Journal of Cheminformatics
|
December 16, 2014
Reliable estimation of prediction errors for QSAR models under model uncertainty using double cross-validation
Désirée Baumann, Knut Baumann
Journal of Computer-Aided Molecular Design
|
February 26, 2005
Validation tools for variable subset regression
Knut Baumann, Nikolaus Stiefl
Journal of Medicinal Chemistry
|
April 4, 2003
Mapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship technique
Nikolaus Stiefl, Knut Baumann
Journal of Cheminformatics
|
April 26, 2014
inSARa: intuitive single-target (large-scale) SAR interpretation and multi-target cross-reactivity analysis
Sabrina Wollenhaupt, Knut Baumann
Journal of Chemical Information and Modeling
|
April 3, 2008
Impact of benchmark data set topology on the validation of virtual screening methods: exploration and quantification by spatial statistics
Sebastian G Rohrer, Knut Baumann
Page
of 6
Search research articles
Search
Showing results (1-10 of 60) with videos related to
Sort By:
Page
of 6
Journal of Chemical Information and Computer Sciences
|
February 22, 2002
An alignment-independent versatile structure descriptor for QSAR and QSPR based on the distribution of molecular features
Knut Baumann
Pharmazie in Unserer Zeit
|
April 5, 2005
[New microtubule stabilizers]
Knut Baumann
Journal of Chemical Information and Modeling
|
June 1, 2005
Structure-based validation of the 3D-QSAR technique MaP
Nikolaus Stiefl, Knut Baumann
Molecular Informatics
|
January 27, 2017
Big Data and Deep Learning: A New Age of Molecular Informatics?
Knut Baumann, Gisbert Schneider
Journal of Chemical Information and Modeling
|
May 23, 2014
inSARa: intuitive and interactive SAR interpretation by reduced graphs and hierarchical MCS-based network navigation
Sabrina Wollenhaupt, Knut Baumann
Journal of Cheminformatics
|
December 16, 2014
Reliable estimation of prediction errors for QSAR models under model uncertainty using double cross-validation
Désirée Baumann, Knut Baumann
Journal of Computer-Aided Molecular Design
|
February 26, 2005
Validation tools for variable subset regression
Knut Baumann, Nikolaus Stiefl
Journal of Medicinal Chemistry
|
April 4, 2003
Mapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship technique
Nikolaus Stiefl, Knut Baumann
Journal of Cheminformatics
|
April 26, 2014
inSARa: intuitive single-target (large-scale) SAR interpretation and multi-target cross-reactivity analysis
Sabrina Wollenhaupt, Knut Baumann
Journal of Chemical Information and Modeling
|
April 3, 2008
Impact of benchmark data set topology on the validation of virtual screening methods: exploration and quantification by spatial statistics
Sebastian G Rohrer, Knut Baumann
Page
of 6