Miriam Mathea

Joined

May 2023

Names

Miriam Mathea (Preferred)

Emails

****@basf.com (Confirmed)

Personal Links

Semantic Scholar

Career & Education History

Principal Researcher

BASF SE (basf.com)

2017 – 2023

PhD student

TU Braunschweig (tu-braunschweig.de)

2013 – 2017

Advisors, Relations & Conflicts

No relations added

Expertise

Cheminformatics

,

ML for Chemistry

,

Computational Toxicology

Present

Publications

Chemoinformatic Classification Methods and their Applicability Domain
Miriam Mathea, Waldemar Klingspohn, Knut Baumann
- 16 May 2023 (modified: 16 May 2023)
- OpenReview Archive Direct Upload
- Readers: Everyone
Optimizing over trained GNNs via symmetry breaking
Shiqiang Zhang, Juan S Campos, Christian Wolfgang Feldmann, David Walz, Frederik Sandfort, Miriam Mathea, Calvin Tsay, Ruth Misener
- NeurIPS 2023 poster
- Readers: Everyone
ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities
Marina Garcia de Lomana, Andrea Morger, Ulf Norinder, Roland Buesen, Robert Landsiedel, Andrea Volkamer, Johannes Kirchmair, Miriam Mathea
- Published: 01 Jan 2021, Last Modified: 15 May 2023
- J. Chem. Inf. Model. 2021
- Readers: Everyone
KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development
Andrea Morger, Miriam Mathea, Janosch Achenbach, Antje Wolf, Roland Buesen, Klaus-Jürgen Schleifer, Robert Landsiedel, Andrea Volkamer
- Published: 01 Jan 2020, Last Modified: 15 May 2023
- J. Cheminformatics 2020
- Readers: Everyone
Analyzing Learned Molecular Representations for Property Prediction
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
- 2019 (modified: 25 Jan 2026)
- J. Chem. Inf. Model. 2019
- Readers: Everyone
Are Learned Molecular Representations Ready For Prime Time?
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
- 2019 (modified: 25 Jan 2026)
- CoRR 2019
- Readers: Everyone
Correction to Analyzing Learned Molecular Representations for Property Prediction
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
- 2019 (modified: 14 Oct 2021)
- J. Chem. Inf. Model. 2019
- Readers: Everyone
Schätzen der Klassenzugehörigkeitswahrscheinlichkeit zur Definition des Arbeitsbereichs von chemieinformatischen Klassifikationsmodellen
Miriam Mathea
- Published: 01 Jan 2018, Last Modified: 15 May 2023
- undefined 2018
- Readers: Everyone
Efficiency of different measures for defining the applicability domain of classification models
Waldemar Klingspohn, Miriam Mathea, Antonius ter Laak, Nikolaus Heinrich, Knut Baumann
- Published: 01 Jan 2017, Last Modified: 15 May 2023
- J. Cheminformatics 2017
- Readers: Everyone

Co-Authors

View all 35 co-authors