Christian Margreitter

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 4

Top Topics

Machine Learning

Molecular Docking

Electronic Health Record

Top Venues

Journal of cheminformatics

Journal of medicinal chemistry

Bioinformatics (Oxford, England)

This page only lists publications with an associated author ORCID identifier.

Publications

Benjamin C Whitehurst, Matthias R Bauer, Fredrik Edfeldt, Anders Gunnarsson, Christian Margreitter, Philip B Rawlins, R Ian Storer
Design and Evaluation of a Low Hydrogen Bond Donor Count Fragment Screening Set to Aid Hit Generation of PROTACs Intended for Oral Delivery. Journal of medicinal chemistry (2023)
Karolina Kwapien, Eva Nittinger, Jiazhen He, Christian Margreitter, Alexey Voronov, Christian Tyrchan
Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug Design. ACS omega 7 (30) (2022)
J Harry Moore, Matthias R Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter
Icolos: a workflow manager for structure-based post-processing of de novo generated small molecules. Bioinformatics (Oxford, England) 38 (21) (2022)
Jeff Guo, Jon Paul Janet, Matthias R Bauer, Eva Nittinger, Kathryn A Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter
DockStream: a docking wrapper to enhance de novo molecular design. Journal of cheminformatics 13 (1) (2021)