Johann Gasteiger

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Johann Gasteiger, Mario Marsili · Tetrahedron · 1980 · 4.1K citations

Physics, Electron Spectroscopy, Natural Sciences +5

QSAR Modeling: Where Have You Been? Where Are You Going To?

Artem Cherkasov, Eugene Muratov, Denis Fourches et al. · Journal of Medicinal Chemistry · 2013 · 2K citations

Virtual Computational Chemistry Laboratory – Design and Description

Igor V. Tetko, Johann Gasteiger, Roberto Todeschini et al. · Journal of Computer-Aided Molecular Design · 2005 · 1.5K citations

Virtual Screening, Engineering, Virtual Engineering +4

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Iurii Sushko, Sergii Novotarskyi, Robert Körner et al. · Journal of Computer-Aided Molecular Design · 2011 · 654 citations · Full text

Engineering, Chemical Analysis, Qsar Modeling +26

Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures

Jens Sadowski, Johann Gasteiger, G. Klebe · Journal of Chemical Information and Computer Sciences · 1994 · 630 citations

Engineering, Altmetric Attention Score, 3D Modeling +23