List of works - Martin Vogt

Activity Landscapes, Information Theory, and Structure - Activity Relationships

scientific article published on 27 February 2013

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

scientific article published on 6 April 2016

AnalogExplorer2 - Stereochemistry sensitive graphical analysis of large analog series

scientific article

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

scientific article published on 11 December 2012

Bayesian interpretation of a distance function for navigating high-dimensional descriptor spaces

scientific article published in January 2007

Bayesian screening for active compounds in high-dimensional chemical spaces combining property descriptors and molecular fingerprints

scientific article published on 7 December 2007

Bayesian similarity searching in high-dimensional descriptor spaces combined with Kullback-Leibler descriptor divergence analysis

scientific article published on 30 January 2008

Chemoinformatics: A view of the field and current trends in method development ⬇️

scientific article published on March 23, 2012

Computationally derived compound profiling matrices

Conditional probabilities of activity landscape features for individual compounds

scientific article

Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation

scientific article

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

scientific article

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

scientific article published on 8 July 2014

Design of chemical space networks on the basis of Tversky similarity

scientific article published on 22 December 2015

Determination of Meta-Parameters for Support Vector Machine Linear Combinations

scientific article published on 17 February 2015

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

scientific article published on October 7, 2011

Development of a fingerprint reduction approach for Bayesian similarity searching based on Kullback-Leibler divergence analysis

scientific article published in June 2009

Extracting Compound Profiling Matrices from Screening Data

article published in 2018

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

scientific article published on August 4, 2011

Identification of descriptors capturing compound class-specific features by mutual information analysis

scientific article published on 20 October 2010

Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds

scientific article published on 4 April 2017

Information Entropic Functions for Molecular Descriptor Profiling ⬇️

scientific article published on January 1, 2012

Introducing the 'active search' method for iterative virtual screening

scientific article published on February 2015

Introduction of an information-theoretic method to predict recovery rates of active compounds for Bayesian in silico screening: theory and screening trials

scientific article published on 16 February 2007

Iterative Shannon Entropy - a Methodology to Quantify the Information Content of Value Range Dependent Data Distributions. Application to Descriptor and Compound Selectivity Profiling

scientific article

Large-scale assessment of activity landscape feature probabilities of bioactive compounds

scientific article published on 21 January 2014

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

scientific article published on 5 March 2016

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

scientific article

Modeling Tanimoto Similarity Value Distributions and Predicting Search Results.

scientific article

Molecular similarity in medicinal chemistry.

scientific article

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

scientific article published on July 24, 2012

Predicting potent compounds via model-based global optimization.

scientific article published on 14 February 2013

Predicting the Performance of Fingerprint Similarity Searching ⬇️

scientific article published on January 1, 2011

Redundancy in two major compound databases

Scaffold Hopping Using Two-Dimensional Fingerprints: True Potential, Black Magic, or a Hopeless Endeavor? Guidelines for Virtual Screening ⬇️

scientific article published on August 12, 2010

Searching for closely related ligands with different mechanisms of action using machine learning and mapping algorithms.

scientific article published on 29 August 2013

Similarity searching for potent compounds using feature selection

scientific article

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

List of works by Martin Vogt

Activity Landscapes, Information Theory, and Structure - Activity Relationships

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

AnalogExplorer2 - Stereochemistry sensitive graphical analysis of large analog series

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

Bayesian interpretation of a distance function for navigating high-dimensional descriptor spaces

Bayesian screening for active compounds in high-dimensional chemical spaces combining property descriptors and molecular fingerprints

Bayesian similarity searching in high-dimensional descriptor spaces combined with Kullback-Leibler descriptor divergence analysis

Chemoinformatics: A view of the field and current trends in method development ⬇️

Computationally derived compound profiling matrices

Conditional probabilities of activity landscape features for individual compounds

Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation

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

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

Design of chemical space networks on the basis of Tversky similarity

Determination of Meta-Parameters for Support Vector Machine Linear Combinations

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

Development of a fingerprint reduction approach for Bayesian similarity searching based on Kullback-Leibler divergence analysis

Extracting Compound Profiling Matrices from Screening Data

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

Identification of descriptors capturing compound class-specific features by mutual information analysis

Influence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds

Information Entropic Functions for Molecular Descriptor Profiling ⬇️

Introducing the 'active search' method for iterative virtual screening

Introduction of an information-theoretic method to predict recovery rates of active compounds for Bayesian in silico screening: theory and screening trials

Iterative Shannon Entropy - a Methodology to Quantify the Information Content of Value Range Dependent Data Distributions. Application to Descriptor and Compound Selectivity Profiling

Large-scale assessment of activity landscape feature probabilities of bioactive compounds

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

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

Modeling Tanimoto Similarity Value Distributions and Predicting Search Results.

Molecular similarity in medicinal chemistry.

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

Predicting potent compounds via model-based global optimization.

Predicting the Performance of Fingerprint Similarity Searching ⬇️

Redundancy in two major compound databases

Scaffold Hopping Using Two-Dimensional Fingerprints: True Potential, Black Magic, or a Hopeless Endeavor? Guidelines for Virtual Screening ⬇️

Searching for closely related ligands with different mechanisms of action using machine learning and mapping algorithms.

Similarity searching for potent compounds using feature selection

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

Tracing compound pathways using chemical space networks