Martin Vogt

发表

Virtual Screening Methods Based on Bayesian Statistics

Jürgen Bajorath, Martin Vogt, J. Bajorath, 2011 .

Design of an activity landscape view taking compound-based feature probabilities into account

Jürgen Bajorath, Martin Vogt, Bijun Zhang, 2014, Journal of Computer-Aided Molecular Design.

Ligand-Based Virtual Screening with Co-regularised Support Vector Regression

Thomas Gärtner, Stefan Wrobel, Martin Vogt, 2016, 2016 IEEE 16th International Conference on Data Mining Workshops (ICDMW).

Compound Classification Using the scikit‐learn Library

Jürgen Bajorath, Martin Vogt, Jenny Balfer, 2017 .

A STANDARDIZED SCALE FOR THE ASSESSMENT OF CAR INTERIOR SOUND QUALITY

Martin Vogt, Rudolf Bisping, Sönke Giehl, 1997 .

Applicability of Different Approaches for the Fatigue Assessment of Welded Components in Vehicle Construction

Martin Vogt, Klaus Dilger, Ekke Hanssen, 2008 .

Lessons learned from the design of chemical space networks and opportunities for new applications

Jürgen Bajorath, Martin Vogt, Dagmar Stumpfe, 2016, Journal of Computer-Aided Molecular Design.

Jürgen Bajorath, Martin Vogt, J. Bajorath, 2008, J. Chem. Inf. Model..

Fatigue assessment of arc welded automotive components using local stress approaches: Application to a track control arm

Martin Vogt, Klaus Dilger, Ekke Hanssen, 2012 .

Project Da CaPo++, Volume I : Architectural and Detailed Design

Bernhard Plattner, Burkhard Stiller, Marcel Waldvogel, 1997 .

Statistical modeling of value distributions of similarity coefficients in virtual screening and its application to predicting fingerprint search performance

Jürgen Bajorath, Martin Vogt, 2013, Journal of Cheminformatics.

Searching for Closely Related Ligands with Different Mechanisms of Action Using Machine Learning and Mapping Algorithms

Jürgen Bajorath, Martin Vogt, Jenny Balfer, 2013, J. Chem. Inf. Model..

Systematic Assessment of Compound Series with SAR Transfer Potential

Anne Mai Wassermann, Jürgen Bajorath, Martin Vogt, 2012, J. Chem. Inf. Model..

Modules as building blocks for protocol configuration

Bernhard Plattner, Martin Vogt, Thomas Plagemann, 1993, 1993 International Conference on Network Protocols.

Introduction of the Conditional Correlated Bernoulli Model of Similarity Value Distributions and its Application to the Prospective Prediction of Fingerprint Search Performance

Jürgen Bajorath, Martin Vogt, J. Bajorath, 2011, J. Chem. Inf. Model..

Hierarchical Clustering in R

Jürgen Bajorath, Martin Vogt, 2017 .

Introducing the ‘active search’ method for iterative virtual screening

Roman Garnett, Thomas Gärtner, Jürgen Bajorath, 2015, Journal of Computer-Aided Molecular Design.

Jürgen Bajorath, Martin Vogt, 2013, J. Chem. Inf. Model..

Redundancy in two major compound databases.

Jürgen Bajorath, Martin Vogt, Dilyana Dimova, 2018, Drug discovery today.

Bayesian Screening for Active Compounds in High‐dimensional Chemical Spaces Combining Property Descriptors and Molecular Fingerprints

Jürgen Bajorath, Martin Vogt, J. Bajorath, 2007, Chemical biology & drug design.

Data Mining Approaches for Compound Selection and Iterative Screening

Jürgen Bajorath, Martin Vogt, J. Bajorath, 2009 .

Modeling Tanimoto Similarity Value Distributions and Predicting Search Results

Jürgen Bajorath, Martin Vogt, J. Bajorath, 2017, Molecular informatics.

Lions and Tigers and Bears, Oh My!.

Martin Vogt, 2002 .

Design and Evaluation of Bonded Atom Pair Descriptors

Jürgen Bajorath, Martin Vogt, Hany E. A. Ahmed, 2010, J. Chem. Inf. Model..

Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures

Jürgen Bajorath, Martin Vogt, Bijun Zhang, 2015, Journal of Computer-Aided Molecular Design.

Computationally derived compound profiling matrices

Jürgen Bajorath, Martin Vogt, Swarit Jasial, 2018, Future science OA.

Development of a Method To Consistently Quantify the Structural Distance between Scaffolds and To Assess Scaffold Hopping Potential

Hanna Geppert, Jürgen Bajorath, Martin Vogt, 2011, J. Chem. Inf. Model..

Systematic computational identification of promiscuity cliff pathways formed by inhibitors of the human kinome

Jürgen Bajorath, Martin Vogt, Filip Miljković, 2019, Journal of Computer-Aided Molecular Design.

Application of Information - Theoretic Concepts in Chemoinformatics

Anne Mai Wassermann, Jürgen Bajorath, Martin Vogt, 2010, Inf..

AnalogExplorer and AnalogExplorer2

Jürgen Bajorath, Ye Hu, Martin Vogt, 2015 .

Conditional Probabilities of Activity Landscape Features for Individual Compounds

Jürgen Bajorath, Preeti Iyer, Martin Vogt, 2013, J. Chem. Inf. Model..

Activity Landscapes, Information Theory, and Structure – Activity Relationships

Preeti Iyer, Martin Vogt, Dagmar Stumpfe, 2013, Molecular informatics.

High Throughput Analyse und Visualisierung von Gelelektrophoreseexperimenten

Martin Vogt, 2003, GI Jahrestagung.

Maximum common substructure-based Tversky index: an asymmetric hybrid similarity measure

Jürgen Bajorath, Martin Vogt, Ryo Kunimoto, 2016, Journal of Computer-Aided Molecular Design.

From Activity Cliffs to Activity Ridges: Informative Data Structures for SAR Analysis

Jürgen Bajorath, Martin Vogt, Yun Huang, 2011, J. Chem. Inf. Model..

Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation

Hanna Geppert, Jürgen Bajorath, Martin Vogt, 2010, J. Chem. Inf. Model..

Navigating High-Dimensional Activity Landscapes: Design and Application of the Ligand-Target Differentiation Map

Jürgen Bajorath, Preeti Iyer, Martin Vogt, 2012, J. Chem. Inf. Model..

Introduction of a Generally Applicable Method to Estimate Retrieval of Active Molecules for Similarity Searching using Fingerprints

Jürgen Bajorath, Martin Vogt, J. Bajorath, 2007, ChemMedChem.

Small Area-Statistik: Methoden und Anwendungen

Martin Vogt, Jan Pablo Burgard, Ralf T. Münnich, 2013, AStA Wirtschafts und Sozialstatistisches Arch..

Information entropic functions for molecular descriptor profiling.

Anne Mai Wassermann, Jürgen Bajorath, Britta Nisius, 2012, Methods in molecular biology.

Automatic registration and segmentation algorithm for multiple electrophoresis images

Martin Vogt, Harald Busse, Matthew S. Baker, 2000, Medical Imaging: Image Processing.

Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures

Jürgen Bajorath, Martin Vogt, Bijun Zhang, 2015, Journal of Computer-Aided Molecular Design.

Activity-relevant similarity values for fingerprints and implications for similarity searching

Jürgen Bajorath, Ye Hu, Martin Vogt, 2016, F1000Research.

Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis

Anne Mai Wassermann, Jürgen Bajorath, Britta Nisius, 2010, J. Chem. Inf. Model..

Co-Regularised Support Vector Regression

Thomas Gärtner, Stefan Wrobel, Martin Vogt, 2017, ECML/PKDD.

Correction to Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis

Anne Mai Wassermann, Jürgen Bajorath, Britta Nisius, 2011, Journal of Chemical Information and Modeling.

Cover Picture: Introduction of a Generally Applicable Method to Estimate Retrieval of Active Molecules for Similarity Searching using Fingerprints (ChemMedChem 9/2007)

Jürgen Bajorath, Martin Vogt, 2007 .

Statistical Methods for Predicting Compound Recovery Rates for Ligand‐Based Virtual Screening and Assessing the Probability of Activity

Jürgen Bajorath, Martin Vogt, J. Bajorath, 2012 .

Emerging Chemical Patterns - Theory and Applications

Jürgen Bajorath, Martin Vogt, Jens Auer, 2013, Contrast Data Mining.

Progress with modeling activity landscapes in drug discovery

Martin Vogt, Martin Vogt, 2018, Expert opinion on drug discovery.

Predicting the performance of fingerprint similarity searching.

Jürgen Bajorath, Martin Vogt, 2011, Methods in molecular biology.

Design of chemical space networks on the basis of Tversky similarity

Jürgen Bajorath, Martin Vogt, Gerald M. Maggiora, 2015, Journal of Computer-Aided Molecular Design.

Extracting Compound Profiling Matrices from Screening Data

Jürgen Bajorath, Martin Vogt, Swarit Jasial, 2018, ACS omega.

Design and characterization of chemical space networks for different compound data sets

Jürgen Bajorath, Martin Vogt, Gerald M. Maggiora, 2015, Journal of Computer-Aided Molecular Design.

Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions

Jürgen Bajorath, Martin Vogt, Tomoyuki Miyao, 2018, ACS omega.

Activity-relevant similarity values for fingerprints and implications for similarity searching

Jürgen Bajorath, Ye Hu, Martin Vogt, 2016, F1000Research.

Design of Diverse and Focused Compound Libraries

Eugen Lounkine, Jürgen Bajorath, Martin Vogt, 2017 .

Predicting Potent Compounds via Model-Based Global Optimization

Holger Fröhlich, Mohsen Ahmadi, Jürgen Bajorath, 2013, J. Chem. Inf. Model..

Da CaPo++ : communication support for distributed applications

Bernhard Plattner, Burkhard Stiller, Marcel Waldvogel, 1997 .

Comparison of bioactive chemical space networks generated using substructure- and fingerprint-based measures of molecular similarity

Jürgen Bajorath, Martin Vogt, Bijun Zhang, 2015, Journal of Computer-Aided Molecular Design.

MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs

Jürgen Bajorath, Ye Hu, Martin Vogt, 2012, J. Chem. Inf. Model..

Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces

Jürgen Bajorath, Martin Vogt, Jeffrey W. Godden, 2007, J. Chem. Inf. Model..

Predicting the similarity search performance of fingerprints and their combination with molecular property descriptors using probabilistic and information theoretic modeling

Jürgen Bajorath, Britta Nisius, Martin Vogt, 2009, Stat. Anal. Data Min..

Predicting the similarity search performance of fingerprints and their combination with molecular property descriptors using probabilistic and information theoretic modeling

Jürgen Bajorath, Britta Nisius, Martin Vogt, 2009 .

Prediction of activity cliffs on the basis of images using convolutional neural networks

Jürgen Bajorath, Martin Vogt, Javed Iqbal, 2021, Journal of Computer-Aided Molecular Design.

Systematic Extraction of Analogue Series from Large Compound Collections Using a New Computational Compound–Core Relationship Method

J. Jesús Naveja, José L. Medina-Franco, Jürgen Bajorath, 2019, ACS omega.

Three‐Dimensional Protein–Ligand Interaction Scaling of Two‐Dimensional Fingerprints

Jürgen Bajorath, Martin Vogt, J. Bajorath, 2009, Chemical biology & drug design.

Assessing the target differentiation potential of imidazole-based protein kinase inhibitors.

Jürgen Bajorath, Stefan Laufer, Preeti Iyer, 2012, Journal of medicinal chemistry.

AnalogExplorer2 – Stereochemistry sensitive graphical analysis of large analog series

Jürgen Bajorath, Ye Hu, Martin Vogt, 2015, F1000Research.

Bayesian Interpretation of a Distance Function for Navigating High-Dimensional Descriptor Spaces.

Jürgen Bajorath, Martin Vogt, Jeffrey W. Godden, 2007 .

Activity classes from different categories

Jürgen Bajorath, Ye Hu, Martin Vogt, 2016 .

Computational Method to Evaluate Progress in Lead Optimization.

Jürgen Bajorath, Martin Vogt, Dimitar Yonchev, 2018, Journal of medicinal chemistry.