Paul M. Selzer

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

Peter Ertl, Bernhard Rohde, Paul M. Selzer · Journal of Medicinal Chemistry · 2000 · 3K citations

Engineering, Computational Chemistry, Polar Fragments +19

The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity

Jan Schuur, Paul M. Selzer, Johann Gasteiger · Journal of Chemical Information and Computer Sciences · 1996 · 349 citations

Molecular Transform, Molecular Biology, Molecule Representation +19

Quest for the Rings. In Silico Exploration of Ring Universe To Identify Novel Bioactive Heteroaromatic Scaffolds

Peter Ertl, Stephen Jelfs, Jörg Mühlbacher et al. · Journal of Medicinal Chemistry · 2006 · 248 citations

Molecular Biology, Chemical Biology, Molecular Design +21

Chemical Information in 3D Space

Johann Gasteiger, Jens Sadowski, Jan Schuur et al. · Journal of Chemical Information and Computer Sciences · 1996 · 196 citations

Engineering, Chemical Analysis, Computational Chemistry +16

Cysteine protease inhibitors as chemotherapy: Lessons from a parasite target

Paul M. Selzer, Sabine Pingel, Ivy Hsieh et al. · Proceedings of the National Academy of Sciences · 1999 · 193 citations