Publications by authors named "Lars Rosenbaum"

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A ranking method for the concurrent learning of compounds with various activity profiles.
Alexander Dörr, Lars Rosenbaum, Andreas Zell

J Cheminform· February 2015

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Integrated enrichment analysis and pathway-centered visualization of metabolomics, proteomics, transcriptomics, and genomics data by using the InCroMAP software.
Johannes Eichner, Lars Rosenbaum, Clemens Wrzodek, Hans-Ulrich Häring, Andreas Zell

J Chromatogr B Analyt Technol Biomed Life Sci· September 2014

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Circulating lysophosphatidylcholines are markers of a metabolically benign nonalcoholic fatty liver.
Rainer Lehmann, Holger Franken, Sascha Dammeier, Lars Rosenbaum, Konstantinos Kantartzis

Diabetes Care· August 2013

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Inferring multi-target QSAR models with taxonomy-based multi-task learning.
Lars Rosenbaum, Alexander Dörr, Matthias R Bauer, Frank M Boeckler, Andreas Zell

J Cheminform· July 2013

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Preanalytical aspects and sample quality assessment in metabolomics studies of human blood.
Peiyuan Yin, Andreas Peter, Holger Franken, Xinjie Zhao, Sabine S Neukamm, Lars Rosenbaum

Clin Chem· May 2013

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Optimization and visualization of the edge weights in optimal assignment methods for virtual screening.
Lars Rosenbaum, Andreas Jahn, Alexander Dörr, Andreas Zell

BioData Min· March 2013

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4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening.
Andreas Jahn, Lars Rosenbaum, Georg Hinselmann, Andreas Zell

J Cheminform· July 2011

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Boltzmann-Enhanced Flexible Atom-Pair Kernel with Dynamic Dimension Reduction.
Andreas Jahn, Georg Hinselmann, Lars Rosenbaum, Nikolas Fechner, Andreas Zell

Mol Inform· April 2011

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Interpreting linear support vector machine models with heat map molecule coloring.
Lars Rosenbaum, Georg Hinselmann, Andreas Jahn, Andreas Zell

J Cheminform· March 2011

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Large-scale learning of structure-activity relationships using a linear support vector machine and problem-specific metrics.
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, Nikolas Fechner, Claude Ostermann

J Chem Inf Model· February 2011

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jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints.
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, Nikolas Fechner, Andreas Zell

J Cheminform· January 2011

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A Free-Wilson-like Approach to Analyze QSAR Models Based on Graph Decomposition Kernels.
Nikolas Fechner, Georg Hinselmann, Andreas Jahn, Lars Rosenbaum, Andreas Zell

Mol Inform· July 2010

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