Jörg Kurt Wegner

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 6

Top Topics

Discriminant Analysis

Machine Learning

Top Venues

Pattern Recognit.

Future Gener. Comput. Syst.

Publications

Aline Hartgers, Ramil I. Nugmanov, Kostiantyn Chernichenko, Jörg Kurt Wegner
ReacLLaMA: Merging chemical and textual information in chemical reactivity AI models. CoRR (2024)
Ramil I. Nugmanov, Natalia Dyubankova, Andrey Gedich, Jörg Kurt Wegner
Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task. J. Chem. Inf. Model. 62 (14) (2022)
Oscar Méndez-Lucio, Mazen Ahmad, Ehecatl Antonio del Rio-Chanona, Jörg Kurt Wegner
A geometric deep learning approach to predict binding conformations of bioactive molecules. Nat. Mach. Intell. 3 (12) (2021)
Joris Tavernier, Jaak Simm, Karl Meerbergen, Jörg Kurt Wegner, Hugo Ceulemans, Yves Moreau
Fast semi-supervised discriminant analysis for binary classification of large data sets. Pattern Recognit. 91 (2019)
Dries Harnie, Mathijs Saey, Alexander E. Vapirev, Jörg Kurt Wegner, Andrey Gedich, Marvin N. Steijaert, Hugo Ceulemans, Roel Wuyts, Wolfgang De Meuter
Scaling machine learning for target prediction in drug discovery using Apache Spark. Future Gener. Comput. Syst. 67 (2017)
Dries Harnie, Alexander E. Vapirev, Jörg Kurt Wegner, Andrey Gedich, Marvin N. Steijaert, Roel Wuyts, Wolfgang De Meuter
Scaling Machine Learning for Target Prediction in Drug Discovery using Apache Spark. CCGRID (2015)