Hans Matter
Orcid: 0000-0002-0249-6025
According to our database1,
Hans Matter
authored at least 10 papers
between 1999 and 2023.
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Bibliography
2023
Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning.
J. Chem. Inf. Model., September, 2023
2022
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence.
J. Chem. Inf. Model., 2022
2020
Using Graph Databases to Investigate Trends in Structure-Activity Relationship Networks.
J. Chem. Inf. Model., 2020
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations.
J. Chem. Inf. Model., 2020
2019
Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets.
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.
J. Chem. Inf. Model., July, 2017
2014
J. Cheminformatics, 2014
2013
2012
3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions.
J. Chem. Inf. Model., 2012
1999
Comparing 3D Pharmacophore Triplets and 2D Fingerprints for Selecting Diverse Compound Subsets.
J. Chem. Inf. Comput. Sci., 1999