Matthias Rupp

According to our database, Matthias Rupp authored at least 27 papers between 2007 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Mobility in pedestrian communication simulations: Impact of microscopic models and solutions for integration.

Lars Wischhof, Maximilian Kilian, Stefan Schuhbäck, Matthias Rupp, Gerta Köster

Comput. Commun., December, 2023

Code Generation for Machine Learning using Model-Driven Engineering and SysML.

Simon Rädler, Matthias Rupp, Eugen Rigger, Stefanie Rinderle-Ma

CoRR, 2023

Heat flux for semi-local machine-learning potentials.

Marcel F. Langer, Florian Knoop, Christian Carbogno, Matthias Scheffler, Matthias Rupp

CoRR, 2023

Evaluation of the Effectiveness of Vulnerable Road User Clustering in C-V2X Systems.

Matthias Rupp, Lars Wischhof

Proceedings of the IEEE International Conference on Omni-layer Intelligent Systems, 2023

2022

Unified representation of molecules and crystals for machine learning.

Haoyan Huo, Matthias Rupp

Mach. Learn. Sci. Technol., December, 2022

Prioritization for Latency Reduction in 5G MEC-Based VRU Protection Systems.

Matthias Rupp, Lars Wischhof

Proceedings of the 18th International Conference on Wireless and Mobile Computing, 2022

2021

Coupling Microscopic Mobility and Mobile Network Emulation for Pedestrian Communication Applications.

Matthias Rupp, Stefan Schuhbäck, Lars Wischhof

CoRR, 2021

2020

Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning.

Marcel F. Langer, Alex Goeßmann, Matthias Rupp

CoRR, 2020

2019

Assessing the Frontier: Active Learning, Model Accuracy, and Multi-objective Materials Discovery and Optimization.

Zachary del Rosario, Yoolhee Kim, Matthias Rupp, Erin Antono, Julia Ling

CoRR, 2019

2016

Geospatial Analysis of the Building Heat Demand and Distribution Losses in a District Heating Network.

Tobias Törnros, Bernd Resch, Matthias Rupp, Hartmut Gündra

ISPRS Int. J. Geo Inf., 2016

2015

Understanding Kernel Ridge Regression: Common behaviors from simple functions to density functionals.

Kevin Vu, John C. Snyder, Li Li, Matthias Rupp, Brandon F. Chen, Tarek Khelif, Klaus-Robert Müller, Kieron Burke

CoRR, 2015

2014

Machine Learning Estimates of Natural Product Conformational Energies.

Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider

PLoS Comput. Biol., 2014

Understanding Machine-learned Density Functionals.

Li Li, John C. Snyder, Isabelle M. Pelaschier, Jessica Huang, Uma-Naresh Niranjan, Paul Duncan, Matthias Rupp, Klaus-Robert Müller, Kieron Burke

CoRR, 2014

2012

DOGS: Reaction-Driven <i>de novo</i> Design of Bioactive Compounds.

Markus Hartenfeller, Heiko Zettl, Miriam Walter, Matthias Rupp, Felix Reisen, Ewgenij Proschak, Sascha Weggen, Holger Stark, Gisbert Schneider

PLoS Comput. Biol., 2012

Modeling of molecular atomization energies using machine learning.

Matthias Rupp, Alexandre Tkatchenko, Klaus-Robert Müller, O. Anatole von Lilienfeld

J. Cheminformatics, 2012

Multi-task learning for pKa prediction.

Grigorios Skolidis, Katja Hansen, Guido Sanguinetti, Matthias Rupp

J. Comput. Aided Mol. Des., 2012

Learning Invariant Representations of Molecules for Atomization Energy Prediction.

Grégoire Montavon, Katja Hansen, Siamac Fazli, Matthias Rupp, Franziska Biegler, Andreas Ziehe, Alexandre Tkatchenko, O. Anatole von Lilienfeld, Klaus-Robert Müller

Proceedings of the Advances in Neural Information Processing Systems 25: 26th Annual Conference on Neural Information Processing Systems 2012. Proceedings of a meeting held December 3-6, 2012

2011

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.

Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko

J. Cheminformatics, 2011

Graph kernels for chemoinformatics - a critical discussion.

Matthias Rupp

J. Cheminformatics, 2011

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.

Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko

J. Comput. Aided Mol. Des., 2011

Finding Density Functionals with Machine Learning

John C. Snyder, Matthias Rupp, Katja Hansen, Klaus-Robert Müller, Kieron Burke

CoRR, 2011

2010

Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist.

Matthias Rupp, Timon Schroeter, Ramona Steri, Ewgenij Proschak, Katja Hansen, Heiko Zettl, Oliver Rau, Manfred Schubert-Zsilavecz, Klaus-Robert Müller, Gisbert Schneider

J. Cheminformatics, 2010

OCHEM - on-line CHEmical database & modeling environment.

Sergii Novotarskyi, Iurii Sushko, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Volodymyr V. Prokopenko, Igor V. Tetko

J. Cheminformatics, 2010

Pharmacophore alignment search tool: Influence of canonical atom labeling on similarity searching.

Volker Hähnke, Matthias Rupp, Mireille Krier, Friedrich Rippmann, Gisbert Schneider

J. Comput. Chem., 2010

2009

Distance phenomena in high-dimensional chemical descriptor spaces: Consequences for similarity-based approaches.

Matthias Rupp, Petra Schneider, Gisbert Schneider

J. Comput. Chem., 2009

2008

Shapelets: Possibilities and limitations of shape-based virtual screening.

Ewgenij Proschak, Matthias Rupp, Swetlana Derksen, Gisbert Schneider

J. Comput. Chem., 2008

2007

Kernel Approach to Molecular Similarity Based on Iterative Graph Similarity.

Matthias Rupp, Ewgenij Proschak, Gisbert Schneider

J. Chem. Inf. Model., 2007