Markus Wagener

Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks

Markus Wagener, Jens Sadowski, Johann Gasteiger · Journal of the American Chemical Society · 1995 · 320 citations

Altmetric Attention Score, System Pharmacology, Chemical Biology +23

A Flexible Approach to Induced Fit Docking

Sander B. Nabuurs, Markus Wagener, Jacob de Vlieg · Journal of Medicinal Chemistry · 2007 · 173 citations

SyGMa: Combining Expert Knowledge and Empirical Scoring in the Prediction of Metabolites

Lars Ridder, Markus Wagener · ChemMedChem · 2008 · 158 citations

Engineering, Machine Learning, Metabolomic Profiling +22

Locating Biologically Active Compounds in Medium-Sized Heterogeneous Datasets by Topological Autocorrelation Vectors:  Dopamine and Benzodiazepine Agonists

Henri Bauknecht, Andreas Zell, Harald Bayer et al. · Journal of Chemical Information and Computer Sciences · 1996 · 137 citations

Engineering, Lead Identification, Computational Chemistry +24

Potential Drugs and Nondrugs:  Prediction and Identification of Important Structural Features

Markus Wagener, V. J. van Geerestein · Journal of Chemical Information and Computer Sciences · 2000 · 129 citations

Pharmaceutical Science, Drug Target, Drug Resistance +16