Miriam Mathea

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 10

Top Venues

Braunschweig University of Technology, Germany (PHD)

Education History

Braunschweig University of Technology, Germany

PHD

Publications

Shiqiang Zhang, Juan S. Campos, Christian Feldmann, Frederik Sandfort, Miriam Mathea, Ruth Misener
Augmenting optimization-based molecular design with graph neural networks. Comput. Chem. Eng. 186 (2024)
Afnan Sultan, Jochen Sieg, Miriam Mathea, Andrea Volkamer
Transformers for molecular property prediction: Lessons learned from the past five years. CoRR (2024)
Shiqiang Zhang, Juan S. Campos, Christian Feldmann, David Walz, Frederik Sandfort, Miriam Mathea, Calvin Tsay, Ruth Misener
Optimizing over trained GNNs via symmetry breaking. NeurIPS (2023)
Shiqiang Zhang, Juan S. Campos, Christian Feldmann, Frederik Sandfort, Miriam Mathea, Ruth Misener
Augmenting optimization-based molecular design with graph neural networks. CoRR (2023)
Marina Garcia de Lomana, Andrea Morger, Ulf Norinder, Roland Buesen, Robert Landsiedel, Andrea Volkamer, Johannes Kirchmair, Miriam Mathea
ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities. J. Chem. Inf. Model. 61 (7) (2021)
Andrea Morger, Miriam Mathea, Janosch Achenbach, Antje Wolf, Roland Buesen, Klaus-Jürgen Schleifer, Robert Landsiedel, Andrea Volkamer
KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development. J. Cheminformatics 12 (1) (2020)
Kevin Yang, Kyle Swanson, Wengong Jin, Connor W. Coley, Philipp Eiden, Hua Gao, Angel Guzman-Perez, Timothy Hopper, Brian Kelley, Miriam Mathea, Andrew Palmer, Volker Settels, Tommi S. Jaakkola, Klavs F. Jensen, Regina Barzilay
Correction to Analyzing Learned Molecular Representations for Property Prediction. J. Chem. Inf. Model. 59 (12) (2019)
Kevin Yang, Kyle Swanson, Wengong Jin, Connor W. Coley, Philipp Eiden, Hua Gao, Angel Guzman-Perez, Timothy Hopper, Brian Kelley, Miriam Mathea, Andrew Palmer, Volker Settels, Tommi S. Jaakkola, Klavs F. Jensen, Regina Barzilay
Are Learned Molecular Representations Ready For Prime Time? CoRR (2019)
Kevin Yang, Kyle Swanson, Wengong Jin, Connor W. Coley, Philipp Eiden, Hua Gao, Angel Guzman-Perez, Timothy Hopper, Brian Kelley, Miriam Mathea, Andrew Palmer, Volker Settels, Tommi S. Jaakkola, Klavs F. Jensen, Regina Barzilay
Analyzing Learned Molecular Representations for Property Prediction. J. Chem. Inf. Model. 59 (8) (2019)
Waldemar Klingspohn, Miriam Mathea, Antonius ter Laak, Nikolaus Heinrich, Knut Baumann
Efficiency of different measures for defining the applicability domain of classification models. J. Cheminformatics 9 (1) (2017)

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Publication Activity (10 Years)

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Miriam Mathea