Martin Vogt

Publication Activity (10 Years)

Years Active: 2007-2021
Publications (10 Years): 18

Top Topics

Virtual Screening

Statistical Modeling

Convolutional Neural Networks

Similarity Searching

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Javed Iqbal, Martin Vogt, Jürgen Bajorath
Prediction of activity cliffs on the basis of images using convolutional neural networks. J. Comput. Aided Mol. Des. 35 (12) (2021)
Javed Iqbal, Martin Vogt, Jürgen Bajorath
Activity landscape image analysis using convolutional neural networks. J. Cheminformatics 12 (1) (2020)
Gerald M. Maggiora, José L. Medina-Franco, Javed Iqbal, Martin Vogt, Jürgen Bajorath
From Qualitative to Quantitative Analysis of Activity and Property Landscapes. J. Chem. Inf. Model. 60 (12) (2020)
Martin Vogt, Jürgen Bajorath
ccbmlib - a Python package for modeling Tanimoto similarity value distributions. F1000Research 9 (2020)
Filip Miljkovic, Martin Vogt, Jürgen Bajorath
Systematic computational identification of promiscuity cliff pathways formed by inhibitors of the human kinome. J. Comput. Aided Mol. Des. 33 (6) (2019)
Katrin Ullrich, Michael Kamp, Thomas Gärtner, Martin Vogt, Stefan Wrobel
Co-Regularised Support Vector Regression. ECML/PKDD (2) (2017)
Raquel Rodríguez-Pérez, Martin Vogt, Jürgen Bajorath
Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds. J. Chem. Inf. Model. 57 (4) (2017)
Martin Vogt, Dagmar Stumpfe, Gerald M. Maggiora, Jürgen Bajorath
Lessons learned from the design of chemical space networks and opportunities for new applications. J. Comput. Aided Mol. Des. 30 (3) (2016)
Mengjun Wu, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath
Design of chemical space networks on the basis of Tversky similarity. J. Comput. Aided Mol. Des. 30 (1) (2016)
Katrin Ullrich, Michael Kamp, Thomas Gärtner, Martin Vogt, Stefan Wrobel
Ligand-Based Virtual Screening with Co-regularised Support Vector Regression. ICDM Workshops (2016)
Ryo Kunimoto, Martin Vogt, Jürgen Bajorath
Maximum common substructure-based Tversky index: an asymmetric hybrid similarity measure. J. Comput. Aided Mol. Des. 30 (7) (2016)
Swarit Jasial, Ye Hu, Martin Vogt, Jürgen Bajorath
Activity-relevant similarity values for fingerprints and implications for similarity searching. F1000Research 5 (2016)
Magdalena Zwierzyna, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath
Design and characterization of chemical space networks for different compound data sets. J. Comput. Aided Mol. Des. 29 (2) (2015)
Bijun Zhang, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath
Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures. J. Comput. Aided Mol. Des. 29 (11) (2015)
Bijun Zhang, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath
Comparison of bioactive chemical space networks generated using substructure- and fingerprint-based measures of molecular similarity. J. Comput. Aided Mol. Des. 29 (7) (2015)
Bijun Zhang, Martin Vogt, Gerald M. Maggiora, Jürgen Bajorath
Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures. J. Comput. Aided Mol. Des. 29 (10) (2015)
Roman Garnett, Thomas Gärtner, Martin Vogt, Jürgen Bajorath
Introducing the 'active search' method for iterative virtual screening. J. Comput. Aided Mol. Des. 29 (4) (2015)
Ye Hu, Bijun Zhang, Martin Vogt, Jürgen Bajorath
AnalogExplorer2 - Stereochemistry sensitive graphical analysis of large analog series. F1000Research 4 (2015)
Bijun Zhang, Martin Vogt, Jürgen Bajorath
Design of an activity landscape view taking compound-based feature probabilities into account. J. Comput. Aided Mol. Des. 28 (9) (2014)
Shilva Kayastha, Dilyana Dimova, Preeti Iyer, Martin Vogt, Jürgen Bajorath
Large-Scale Assessment of Activity Landscape Feature Probabilities of Bioactive Compounds. J. Chem. Inf. Model. 54 (2) (2014)
Martin Vogt, Jürgen Bajorath
Statistical modeling of value distributions of similarity coefficients in virtual screening and its application to predicting fingerprint search performance. J. Cheminformatics 5 (S-1) (2013)
Martin Vogt, Preeti Iyer, Gerald M. Maggiora, Jürgen Bajorath
Conditional Probabilities of Activity Landscape Features for Individual Compounds. J. Chem. Inf. Model. 53 (7) (2013)
Martin Vogt, Jürgen Bajorath
Similarity Searching for Potent Compounds Using Feature Selection. J. Chem. Inf. Model. 53 (7) (2013)
Jenny Balfer, Martin Vogt, Jürgen Bajorath
Searching for Closely Related Ligands with Different Mechanisms of Action Using Machine Learning and Mapping Algorithms. J. Chem. Inf. Model. 53 (9) (2013)
Mohsen Ahmadi, Martin Vogt, Preeti Iyer, Jürgen Bajorath, Holger Fröhlich
Predicting Potent Compounds via Model-Based Global Optimization. J. Chem. Inf. Model. 53 (3) (2013)
Xiaoying Hu, Ye Hu, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath
MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs. J. Chem. Inf. Model. 52 (5) (2012)
Bijun Zhang, Anne Mai Wassermann, Martin Vogt, Jürgen Bajorath
Systematic Assessment of Compound Series with SAR Transfer Potential. J. Chem. Inf. Model. 52 (12) (2012)
Preeti Iyer, Dilyana Dimova, Martin Vogt, Jürgen Bajorath
Navigating High-Dimensional Activity Landscapes: Design and Application of the Ligand-Target Differentiation Map. J. Chem. Inf. Model. 52 (8) (2012)
Ruifang Li, Dagmar Stumpfe, Martin Vogt, Hanna Geppert, Jürgen Bajorath
Development of a Method To Consistently Quantify the Structural Distance between Scaffolds and To Assess Scaffold Hopping Potential. J. Chem. Inf. Model. 51 (10) (2011)
Martin Vogt, Jürgen Bajorath
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. 51 (10) (2011)
Martin Vogt, Yun Huang, Jürgen Bajorath
From Activity Cliffs to Activity Ridges: Informative Data Structures for SAR Analysis. J. Chem. Inf. Model. 51 (8) (2011)
Anne Mai Wassermann, Britta Nisius, Martin Vogt, Jürgen Bajorath
Correction to Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis. J. Chem. Inf. Model. 51 (2) (2011)
Hanna Geppert, Martin Vogt, Jürgen Bajorath
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation. J. Chem. Inf. Model. 50 (2) (2010)
Martin Vogt, Anne Mai Wassermann, Jürgen Bajorath
Application of Information - Theoretic Concepts in Chemoinformatics. Inf. 1 (2) (2010)
Anne Mai Wassermann, Britta Nisius, Martin Vogt, Jürgen Bajorath
Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis. J. Chem. Inf. Model. 50 (11) (2010)
Hany E. A. Ahmed, Martin Vogt, Jürgen Bajorath
Design and Evaluation of Bonded Atom Pair Descriptors. J. Chem. Inf. Model. 50 (4) (2010)
Martin Vogt, Britta Nisius, Jürgen Bajorath
Predicting the similarity search performance of fingerprints and their combination with molecular property descriptors using probabilistic and information theoretic modeling. Stat. Anal. Data Min. 2 (2) (2009)
Britta Nisius, Martin Vogt, Jürgen Bajorath
Development of a Fingerprint Reduction Approach for Bayesian Similarity Searching Based on Kullback-Leibler Divergence Analysis. J. Chem. Inf. Model. 49 (6) (2009)
Martin Vogt, Jürgen Bajorath
Bayesian Similarity Searching in High-Dimensional Descriptor Spaces Combined with Kullback-Leibler Descriptor Divergence Analysis. J. Chem. Inf. Model. 48 (2) (2008)
Martin Vogt, Jeffrey W. Godden, Jürgen Bajorath
Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces. J. Chem. Inf. Model. 47 (1) (2007)
Martin Vogt, Jürgen Bajorath
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. 47 (2) (2007)