Martin Vogt
Orcid: 0000-0002-3931-9516Affiliations:
- University of Bonn, LIMES Institute, Germany
According to our database1,
Martin Vogt
authored at least 42 papers
between 2007 and 2021.
Collaborative distances:
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Bibliography
2021
Prediction of activity cliffs on the basis of images using convolutional neural networks.
J. Comput. Aided Mol. Des., 2021
2020
J. Chem. Inf. Model., 2020
J. Cheminformatics, 2020
F1000Research, 2020
2019
Systematic computational identification of promiscuity cliff pathways formed by inhibitors of the human kinome.
J. Comput. Aided Mol. Des., 2019
2017
Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds.
J. Chem. Inf. Model., 2017
Proceedings of the Machine Learning and Knowledge Discovery in Databases, 2017
2016
J. Comput. Aided Mol. Des., 2016
Lessons learned from the design of chemical space networks and opportunities for new applications.
J. Comput. Aided Mol. Des., 2016
Maximum common substructure-based Tversky index: an asymmetric hybrid similarity measure.
J. Comput. Aided Mol. Des., 2016
Activity-relevant similarity values for fingerprints and implications for similarity searching.
F1000Research, 2016
Proceedings of the IEEE International Conference on Data Mining Workshops, 2016
2015
Design and characterization of chemical space networks for different compound data sets.
J. Comput. Aided Mol. Des., 2015
Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures.
J. Comput. Aided Mol. Des., 2015
Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures.
J. Comput. Aided Mol. Des., 2015
Comparison of bioactive chemical space networks generated using substructure- and fingerprint-based measures of molecular similarity.
J. Comput. Aided Mol. Des., 2015
J. Comput. Aided Mol. Des., 2015
AnalogExplorer2 - Stereochemistry sensitive graphical analysis of large analog series.
F1000Research, 2015
2014
Large-Scale Assessment of Activity Landscape Feature Probabilities of Bioactive Compounds.
J. Chem. Inf. Model., 2014
Design of an activity landscape view taking compound-based feature probabilities into account.
J. Comput. Aided Mol. Des., 2014
2013
J. Chem. Inf. Model., 2013
J. Chem. Inf. Model., 2013
Searching for Closely Related Ligands with Different Mechanisms of Action Using Machine Learning and Mapping Algorithms.
J. Chem. Inf. Model., 2013
J. Chem. Inf. Model., 2013
Statistical modeling of value distributions of similarity coefficients in virtual screening and its application to predicting fingerprint search performance.
J. Cheminformatics, 2013
Emerging Chemical Patterns - Theory and Applications.
Proceedings of the Contrast Data Mining: Concepts, Algorithms, and Applications, 2013
2012
J. Chem. Inf. Model., 2012
Navigating High-Dimensional Activity Landscapes: Design and Application of the Ligand-Target Differentiation Map.
J. Chem. Inf. Model., 2012
MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs.
J. Chem. Inf. Model., 2012
2011
Correction to Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis.
J. Chem. Inf. Model., 2011
From Activity Cliffs to Activity Ridges: Informative Data Structures for SAR Analysis.
J. Chem. Inf. Model., 2011
Introduction of the Conditional Correlated Bernoulli Model of Similarity Value Distributions and its Application to the Prospective Prediction of Fingerprint Search Performance.
J. Chem. Inf. Model., 2011
Development of a Method To Consistently Quantify the Structural Distance between Scaffolds and To Assess Scaffold Hopping Potential.
J. Chem. Inf. Model., 2011
2010
Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis.
J. Chem. Inf. Model., 2010
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation.
J. Chem. Inf. Model., 2010
2009
Predicting the similarity search performance of fingerprints and their combination with molecular property descriptors using probabilistic and information theoretic modeling.
Stat. Anal. Data Min., 2009
Development of a Fingerprint Reduction Approach for Bayesian Similarity Searching Based on Kullback-Leibler Divergence Analysis.
J. Chem. Inf. Model., 2009
2008
Bayesian Similarity Searching in High-Dimensional Descriptor Spaces Combined with Kullback-Leibler Descriptor Divergence Analysis.
J. Chem. Inf. Model., 2008
2007
Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces.
J. Chem. Inf. Model., 2007
Introduction of an Information-Theoretic Method to Predict Recovery Rates of Active Compounds for Bayesian in Silico Screening: Theory and Screening Trials.
J. Chem. Inf. Model., 2007