Index-Based Searching of Interaction Patterns in Large Collections of Protein-Ligand Interfaces. - Therese Inhester; Stefan Bietz; Matthias Hilbig 001; Robert Schmidt 002; Matthias Rarey (J. Chem. Inf. Model., 2017)

Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis. - Emanuel S. R. Ehmki; Robert Schmidt 002; Farina Ohm; Matthias Rarey (J. Chem. Inf. Model., 2019)

Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms. - Robert Schmidt 002; Emanuel S. R. Ehmki; Farina Ohm; Hans-Christian Ehrlich; Andriy Mashychev; Matthias Rarey (J. Chem. Inf. Model., 2019)

Disconnected Maximum Common Substructures under Constraints. - Robert Schmidt 002; Florian Krull; Anna Lina Heinzke; Matthias Rarey (J. Chem. Inf. Model., 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 (2021)

The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare. - Patrick Penner; Wolfgang Guba; Robert Schmidt 002; Agnes Meyder; Martin Stahl; Matthias Rarey (J. Chem. Inf. Model., 2022)

Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound Spaces. - Robert Schmidt 002; Raphael Klein; Matthias Rarey (J. Chem. Inf. Model., 2022)

SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces. - Sophia M. N. Hönig; Florian Flachsenberg; Christiane Ehrt; Alexander Neumann; Robert Schmidt 002; Christian Lemmen; Matthias Rarey (J. Comput. Aided Mol. Des., 2024)