Hans Matter

According to our database, Hans Matter authored at least 11 papers between 1999 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

Many-Shot In-Context Learning for Molecular Inverse Design.

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

CoRR, 2024

2023

Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning.

Susanne Sauer, Hans Matter, Gerhard Hessler, Christoph Grebner

J. Chem. Inf. Model., September, 2023

2022

Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence.

Tobias Harren, Hans Matter, Gerhard Hessler, Matthias Rarey, Christoph Grebner

J. Chem. Inf. Model., 2022

2020

Using Graph Databases to Investigate Trends in Structure-Activity Relationship Networks.

Hans Matter, Christian Buning, Dan Dragos Stefanescu, Sven Ruf, Gerhard Hessler

J. Chem. Inf. Model., 2020

Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations.

Daniel Cappel, Steven Jerome, Gerhard Hessler, Hans Matter

J. Chem. Inf. Model., 2020

2019

Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets.

Jan Wenzel, Hans Matter, K. Friedemann Schmidt

J. Chem. Inf. Model., 2019

2017

Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series.

Stefan Güssregen, Hans Matter, Gerhard Hessler, Evanthia Lionta, Jochen Heil, Stefan M. Kast

J. Chem. Inf. Model., July, 2017

2014

Quantum-mechanics-based molecular interaction fields for 3D-QSAR.

Ahmed M. El Kerdawy, Stefan Güssregen, Hans Matter, Matthias Hennemann, Timothy Clark

J. Cheminformatics, 2014

2013

Quantum Mechanics-Based Properties for 3D-QSAR.

Ahmed M. El Kerdawy, Stefan Güssregen, Hans Matter, Matthias Hennemann, Timothy Clark

J. Chem. Inf. Model., 2013

2012

3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions.

Stefan Güssregen, Hans Matter, Gerhard Hessler, Marco Müller, K. Friedemann Schmidt, Timothy Clark

J. Chem. Inf. Model., 2012

1999

Comparing 3D Pharmacophore Triplets and 2D Fingerprints for Selecting Diverse Compound Subsets.

Hans Matter, Thorsten Pötter

J. Chem. Inf. Comput. Sci., 1999