Hans Matter

Publication Activity (10 Years)

Years Active: 1999-2024
Publications (10 Years): 7

Top Topics

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Saeed Moayedpour, Alejandro Corrochano-Navarro, Faryad Sahneh, Shahriar Noroozizadeh, Alexander Koetter, Jiri Vymetal, Lorenzo Kogler-Anele, Pablo Mas, Yasser Jangjou, Sizhen Li, Michael Bailey, Marc Bianciotto, Hans Matter, Christoph Grebner, Gerhard Hessler, Ziv Bar-Joseph, Sven Jager
Many-Shot In-Context Learning for Molecular Inverse Design. CoRR (2024)
Susanne Sauer, Hans Matter, Gerhard Hessler, Christoph Grebner
Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning. J. Chem. Inf. Model. 63 (18) (2023)
Tobias Harren, Hans Matter, Gerhard Hessler, Matthias Rarey, Christoph Grebner
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence. J. Chem. Inf. Model. 62 (3) (2022)
Daniel Cappel, Steven Jerome, Gerhard Hessler, Hans Matter
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations. J. Chem. Inf. Model. 60 (3) (2020)
Hans Matter, Christian Buning, Dan Dragos Stefanescu, Sven Ruf, Gerhard Hessler
Using Graph Databases to Investigate Trends in Structure-Activity Relationship Networks. J. Chem. Inf. Model. 60 (12) (2020)
Jan Wenzel, Hans Matter, K. Friedemann Schmidt
Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets. J. Chem. Inf. Model. 59 (3) (2019)
Stefan Güssregen, Hans Matter, Gerhard Hessler, Evanthia Lionta, Jochen Heil, Stefan M. Kast
Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series. J. Chem. Inf. Model. 57 (7) (2017)
Ahmed El Kerdawy, Stefan Güssregen, Hans Matter, Matthias Hennemann, Timothy Clark
Quantum-mechanics-based molecular interaction fields for 3D-QSAR. J. Cheminformatics 6 (S-1) (2014)
Ahmed El Kerdawy, Stefan Güssregen, Hans Matter, Matthias Hennemann, Timothy Clark
Quantum Mechanics-Based Properties for 3D-QSAR. J. Chem. Inf. Model. 53 (6) (2013)
Stefan Güssregen, Hans Matter, Gerhard Hessler, Marco Müller, K. Friedemann Schmidt, Timothy Clark
3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions. J. Chem. Inf. Model. 52 (9) (2012)
Hans Matter, Thorsten Pötter
Comparing 3D Pharmacophore Triplets and 2D Fingerprints for Selecting Diverse Compound Subsets. J. Chem. Inf. Comput. Sci. 39 (6) (1999)