Guenter Klambauer (Günter Klambauer)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 21

Top Topics

Molecular Dynamics

Convolutional Neural Network

Machine Learning

Top Venues

Journal of chemical information and modeling

Chemical research in toxicology

Journal of medical systems

Chemical science

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

Publications

Emma Svensson, Pieter-Jan Hoedt, Sepp Hochreiter, Guenter Klambauer
HyperPCM: Robust Task-Conditioned Modeling of Drug-Target Interactions. Journal of chemical information and modeling 64 (7) (2024)
Emma Svensson, Pieter-Jan Hoedt, Sepp Hochreiter, Guenter Klambauer
HyperPCM: Robust Task-Conditioned Modeling of Drug-Target Interactions. Journal of chemical information and modeling 64 (7) (2024)
Philipp Renz, Sohvi Luukkonen, Guenter Klambauer
Diverse Hits in De Novo Molecule Design: Diversity-Based Comparison of Goal-Directed Generators. Journal of chemical information and modeling (2024)
Philipp Renz, Sohvi Luukkonen, Guenter Klambauer
Diverse Hits in De Novo Molecule Design: Diversity-Based Comparison of Goal-Directed Generators. Journal of chemical information and modeling 64 (15) (2024)
Emma Svensson, Pieter-Jan Hoedt, Sepp Hochreiter, Guenter Klambauer
HyperPCM: Robust Task-Conditioned Modeling of Drug-Target Interactions. Journal of chemical information and modeling (2024)
Philipp Renz, Sohvi Luukkonen, Guenter Klambauer
Diverse Hits in De Novo Molecule Design: Diversity-Based Comparison of Goal-Directed Generators. Journal of chemical information and modeling 64 (15) (2024)
Philipp Renz, Sohvi Luukkonen, Guenter Klambauer
Diverse Hits in De Novo Molecule Design: Diversity-Based Comparison of Goal-Directed Generators. Journal of chemical information and modeling 64 (15) (2024)
Emma Svensson, Pieter-Jan Hoedt, Sepp Hochreiter, Guenter Klambauer
HyperPCM: Robust Task-Conditioned Modeling of Drug-Target Interactions. Journal of chemical information and modeling 64 (7) (2024)
Emma Svensson, Pieter-Jan Hoedt, Sepp Hochreiter, Guenter Klambauer
HyperPCM: Robust Task-Conditioned Modeling of Drug-Target Interactions. Journal of chemical information and modeling 64 (7) (2024)
Emma Svensson, Pieter-Jan Hoedt, Sepp Hochreiter, Guenter Klambauer
HyperPCM: Robust Task-Conditioned Modeling of Drug-Target Interactions. Journal of chemical information and modeling 64 (7) (2024)
Emma Svensson, Pieter-Jan Hoedt, Sepp Hochreiter, Guenter Klambauer
HyperPCM: Robust Task-Conditioned Modeling of Drug-Target Interactions. Journal of chemical information and modeling 64 (7) (2024)
Guenter Klambauer, Djork-Arné Clevert, Imran Shah, Emilio Benfenati, Igor V Tetko
Introduction to the Special Issue: AI Meets Toxicology. Chemical research in toxicology 36 (8) (2023)
Ana Sanchez-Fernandez, Elisabeth Rumetshofer, Sepp Hochreiter, Guenter Klambauer
CLOOME: contrastive learning unlocks bioimaging databases for queries with chemical structures. Nature communications 14 (1) (2023)
Rahmad Akbar, Philippe A Robert, Cédric R Weber, Michael Widrich, Robert Frank, Milena Pavlović, Lonneke Scheffer, Maria Chernigovskaya, Igor Snapkov, Andrei Slabodkin, Brij Bhushan Mehta, Enkelejda Miho, Fridtjof Lund-Johansen, Jan Terje Andersen, Sepp Hochreiter, Ingrid Hobæk Haff, Guenter Klambauer, Geir Kjetil F Sandve, Victor Greiff
In silico proof of principle of machine learning-based antibody design at unconstrained scale. mAbs 14 (1) (2022)
Theresa Roland, Carl Böck, Thomas Tschoellitsch, Alexander Maletzky, Sepp Hochreiter, Jens Meier, Guenter Klambauer
Domain Shifts in Machine Learning Based Covid-19 Diagnosis From Blood Tests. Journal of medical systems 46 (5) (2022)
Guenter Klambauer, Sepp Hochreiter, Matthias Rarey
Machine Learning in Drug Discovery. Journal of chemical information and modeling 59 (3) (2020)
Markus Hofmarcher, Elisabeth Rumetshofer, Djork-Arné Clevert, Sepp Hochreiter, Guenter Klambauer
Accurate Prediction of Biological Assays with High-Throughput Microscopy Images and Convolutional Networks. Journal of chemical information and modeling 59 (3) (2019)
Kristina Preuer, Philipp Renz, Thomas Unterthiner, Sepp Hochreiter, Guenter Klambauer
Fréchet ChemNet Distance: A Metric for Generative Models for Molecules in Drug Discovery. Journal of chemical information and modeling 58 (9) (2018)
Noé Sturm, Jiangming Sun, Yves Vandriessche, Andreas Mayr, Guenter Klambauer, Lars Carlsson, Ola Engkvist, Hongming Chen
Application of Bioactivity Profile-Based Fingerprints for Building Machine Learning Models. Journal of chemical information and modeling 59 (3) (2018)
Andreas Mayr, Guenter Klambauer, Thomas Unterthiner, Marvin Steijaert, Joerg Kurt Wegner, Hugo Ceulemans, Djork-Arné Clevert, Sepp Hochreiter
Large-scale comparison of machine learning methods for drug target prediction on ChEMBL. Chemical science 9 (24) (2018)
Sepp Hochreiter, Guenter Klambauer, Matthias Rarey
Machine Learning in Drug Discovery. Journal of chemical information and modeling 58 (9) (2018)