Concepedia
Statistics
Publications
32
Citations
1.4K
H-Index
20
Active since
2016
Affiliations
University of Vienna(Current)
Massachusetts Institute of Technology
TU Wien
Austrian Economics Center
Faculty (United Kingdom)
Esther Heid is an author at University of Vienna specializing in engineering, machine learning, and chemistry.
Top concepts
EngineeringChemistryMachine LearningComputational ChemistryBiophysicsDeep LearningMedicineMolecular DesignMolecular BiologyData Science
Publications per year
2016–2024
Chemprop: A Machine Learning Package for Chemical Property Prediction
Esther Heid, Kevin P. Greenman, Yunsie Chung et al. · Journal of Chemical Information and Modeling · 2023 · 422 citations · Full text
Engineering, Machine Learning, Physic Aware Machine Learning +15
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors
Yanfei Guan, Connor W. Coley, Haoyang Wu et al. · Chemical Science · 2020 · 144 citations · Full text
Quantum mechanical determination of atomic polarizabilities of ionic liquids
Esther Heid, András Szabadi, Christian Schröder · Physical Chemistry Chemical Physics · 2018 · 76 citations
Solid-state Ionic, Ionic Liquid, Common Ionic Liquids +15
Characterizing Uncertainty in Machine Learning for Chemistry
Esther Heid, Charles J. McGill, Florence H. Vermeire et al. · Journal of Chemical Information and Modeling · 2023 · 71 citations · Full text
Artificial Intelligence, Engineering, Machine Learning +15
Machine-Learning-Guided Discovery of Electrochemical Reactions
Andrew F. Zahrt, Yiming Mo, Kakasaheb Y. Nandiwale et al. · Journal of the American Chemical Society · 2022 · 66 citations · Full text
Artificial Intelligence, Engineering, Machine Learning +20
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