Robert Schmidt

According to our database, Robert Schmidt authored at least 8 papers between 2017 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces.

Sophia M. N. Hönig, Florian Flachsenberg, Christiane Ehrt, Alexander Neumann, Robert Schmidt, Christian Lemmen, Matthias Rarey

J. Comput. Aided Mol. Des., December, 2024

2022

Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound Spaces.

Robert Schmidt, Raphael Klein, Matthias Rarey

J. Chem. Inf. Model., 2022

The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare.

Patrick Penner, Wolfgang Guba, Robert Schmidt, Agnes Meyder, Martin Stahl, Matthias Rarey

J. Chem. Inf. Model., 2022

2021

Neue Algorithmen zur Bestimmung maximaler gemeinsamer Subgraphen in chemischen Mustern und Räumen (Novel Algorithms for the Calculation of Maximum Common Subgraphs in Chemical Patterns and Chemical Spaces)

Robert Julius Schmidt

PhD thesis, 2021

Disconnected Maximum Common Substructures under Constraints.

Robert Schmidt, Florian Krull, Anna Lina Heinzke, Matthias Rarey

J. Chem. Inf. Model., 2021

2019

Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms.

Robert Schmidt, Emanuel S. R. Ehmki, Farina Ohm, Hans-Christian Ehrlich, Andriy Mashychev, Matthias Rarey

J. Chem. Inf. Model., 2019

Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis.

Emanuel S. R. Ehmki, Robert Schmidt, Farina Ohm, Matthias Rarey

J. Chem. Inf. Model., 2019

2017

Index-Based Searching of Interaction Patterns in Large Collections of Protein-Ligand Interfaces.

Therese Inhester, Stefan Bietz, Matthias Hilbig, Robert Schmidt, Matthias Rarey

J. Chem. Inf. Model., 2017