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Matthias Rupp

Showing results (1-10 of 32) with videos related to

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Molecular Informatics|July 28, 2016
Graph Kernels for Molecular SimilarityMatthias Rupp, Gisbert Schneider
Journal of Computational Chemistry|March 7, 2009
Distance phenomena in high-dimensional chemical descriptor spaces: consequences for similarity-based approachesMatthias Rupp, Petra Schneider, Gisbert Schneider
Journal of Chemical Information and Modeling|November 8, 2007
Kernel approach to molecular similarity based on iterative graph similarityMatthias Rupp, Ewgenij Proschak, Gisbert Schneider
The Journal of Chemical Physics|August 9, 2024
Guest editorial: Special Topic on software for atomistic machine learningMatthias Rupp, Emine Küçükbenli, Gábor Csányi
Molecular Informatics|August 2, 2016
Impact of X-Ray Structure on Predictivity of Scoring Functions: PPARγ Case StudyJulia Weber, Matthias Rupp, Ewgenij Proschak
Molecular Informatics|July 28, 2016
Estimation of Acid Dissociation Constants Using Graph KernelsMatthias Rupp, Robert Körner, Igor V Tetko
Combinatorial Chemistry & High Throughput Screening|April 8, 2011
Predicting the pKa of small moleculeMatthias Rupp, Robert Körner, Igor V Tetko
Journal of Computational Chemistry|May 23, 2007
Shapelets: possibilities and limitations of shape-based virtual screeningEwgenij Proschak, Matthias Rupp, Swetlana Derksen, et al.
The Journal of Chemical Physics|July 2, 2018
Guest Editorial: Special Topic on Data-Enabled Theoretical ChemistryMatthias Rupp, O Anatole von Lilienfeld, Kieron Burke
Journal of Computer-Aided Molecular Design|June 21, 2012
Multi-task learning for pKa predictionGrigorios Skolidis, Katja Hansen, Guido Sanguinetti, et al.
Pageof 4

Showing results (1-10 of 32) with videos related to

Sort By:
Pageof 4
Molecular Informatics|July 28, 2016
Graph Kernels for Molecular SimilarityMatthias Rupp, Gisbert Schneider
Journal of Computational Chemistry|March 7, 2009
Distance phenomena in high-dimensional chemical descriptor spaces: consequences for similarity-based approachesMatthias Rupp, Petra Schneider, Gisbert Schneider
Journal of Chemical Information and Modeling|November 8, 2007
Kernel approach to molecular similarity based on iterative graph similarityMatthias Rupp, Ewgenij Proschak, Gisbert Schneider
The Journal of Chemical Physics|August 9, 2024
Guest editorial: Special Topic on software for atomistic machine learningMatthias Rupp, Emine Küçükbenli, Gábor Csányi
Molecular Informatics|August 2, 2016
Impact of X-Ray Structure on Predictivity of Scoring Functions: PPARγ Case StudyJulia Weber, Matthias Rupp, Ewgenij Proschak
Molecular Informatics|July 28, 2016
Estimation of Acid Dissociation Constants Using Graph KernelsMatthias Rupp, Robert Körner, Igor V Tetko
Combinatorial Chemistry & High Throughput Screening|April 8, 2011
Predicting the pKa of small moleculeMatthias Rupp, Robert Körner, Igor V Tetko
Journal of Computational Chemistry|May 23, 2007
Shapelets: possibilities and limitations of shape-based virtual screeningEwgenij Proschak, Matthias Rupp, Swetlana Derksen, et al.
The Journal of Chemical Physics|July 2, 2018
Guest Editorial: Special Topic on Data-Enabled Theoretical ChemistryMatthias Rupp, O Anatole von Lilienfeld, Kieron Burke
Journal of Computer-Aided Molecular Design|June 21, 2012
Multi-task learning for pKa predictionGrigorios Skolidis, Katja Hansen, Guido Sanguinetti, et al.
Pageof 4