Matthias Rarey

60PUBLICATIONS
133CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsBioinformatic methods developmentComputational chemistrySequence analysisOpen access
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Publications (60)

|Jun 23, 2026
PegaPlus─Interactive Machine Learning by Human Observation for Efficient Clustering and Analysis of Structure-Activity Data.

|May 08, 2026
Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail.

|Feb 10, 2026
Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints.

Justin Lübbers, Malte Schokolowski, Uta Lessel

|Jan 02, 2026
ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data.

Emanuel S R Ehmki, Torben Gutermuth, Tobias Harren

|Aug 01, 2025
A bottom-up approach to find lead compounds in expansive chemical spaces.

Álvaro Serrano-Morrás, Andrea Bertran-Mostazo, Marina Miñarro-Lleonar

|Jul 31, 2025
Correction: SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory.

Malte Korn, Philip Judson, Raphael Klein

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Frequent Collaborators

14 joint publications

Florian Flachsenberg

12 joint publications

Christiane Ehrt

10 joint publications

Patrick Penner

7 joint publications

Joel Graef