Gisbert Schneider

“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

Gisbert Schneider, Werner Neidhart, Thomas Giller et al. · Angewandte Chemie International Edition · 1999 · 691 citations

Pharmacy, Medicinal Chemistry, Pharmacology +14

Comparison of Support Vector Machine and Artificial Neural Network Systems for Drug/Nondrug Classification

Evgeny Byvatov, Uli Fechner, Jens Sadowski et al. · Journal of Chemical Information and Computer Sciences · 2003 · 561 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Generative Recurrent Networks for <i>De Novo</i> Drug Design

Anvita Gupta, Alex T. Müller, Berend J. H. Huisman et al. · Molecular Informatics · 2017 · 468 citations · Full text

Pharmacy, Medicinal Chemistry, Computational Chemistry +14

<i>De Novo</i> Design of Bioactive Small Molecules by Artificial Intelligence

Daniel Merk, Lukas Friedrich, Francesca Grisoni et al. · Molecular Informatics · 2018 · 365 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +12

PocketPicker: analysis of ligand binding-sites with shape descriptors

Martin Weisel, Ewgenij Proschak, Gisbert Schneider · Chemistry Central Journal · 2007 · 343 citations · Full text

Life Sciences, Bioinformatics, Biophysics +17