Computer-aided drug discovery

by Bajorath, Jürgen
Published 2015

Entering new publication territory in chemoinformatics and chemical information science

by Bajorath, Jürgen
Published 2015

Activity artifacts in drug discovery and different facets of compound promiscuity

by Bajorath, Jürgen
Published 2014

Foundations of molecular similarity analysis

by Bajorath, Jürgen
Published 2008

On data sharing in computational drug discovery and the need for data notes

by Bajorath, Jürgen
Published 2014

Design of multi-target activity landscapes that capture hierarchical activity cliff distributions

by Dimova, Dilyana, Bajorath, Jürgen
Published 2012

Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications

by Hu, Ye, Bajorath, Jurgen
Published 2012

High-resolution view of compound promiscuity

by Hu, Ye, Bajorath, Jürgen
Published 2013

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

by Vogt, Martin, Bajorath, Jürgen
Published 2013

Evaluation of molecular model-based discovery of ecto-5’-nucleotidase inhibitors on the basis of X-ray structures

by Furtmann, Norbert, Bajorath, Jürgen
Published 2014

Analyzing compound activity records and promiscuity degrees in light of publication statistics

by Hu, Ye, Bajorath, Jürgen
Published 2016

Quantifying the Tendency of Therapeutic Target Proteins to Bind Promiscuous or Selective Compounds

by Hu, Ye, Bajorath, Jürgen
Published 2015

Monitoring drug promiscuity over time

by Hu, Ye, Bajorath, Jürgen
Published 2014

Follow up: Compound data sets and software tools for chemoinformatics and medicinal chemistry applications: update and data transfer

by Hu, Ye, Bajorath, Jürgen
Published 2014

Systematic Artifacts in Support Vector Regression-Based Compound Potency Prediction Revealed by Statistical and Activity Landscape Analysis

by Balfer, Jenny, Bajorath, Jürgen
Published 2015

A computational method to facilitate structure-activity relationship transfer

by Wassermann, Anne Mai, Bajorath, Jürgen
Published 2012

On the evolving open peer review culture for chemical information science

by Walters, W. Patrick, Bajorath, Jürgen
Published 2015

The ‘SAR Matrix’ method and its extensions for applications in medicinal chemistry and chemogenomics

by Gupta-Ostermann, Disha, Bajorath, Jürgen
Published 2014

Potency-directed similarity searching using support vector machines

by Heikamp, Kathrin, Wassermann, Anne M, Bajorath, Jürgen
Published 2012

Advancing the activity cliff concept

by Hu, Ye, Stumpfe, Dagmar, Bajorath, Jürgen
Published 2013