Concepedia
Statistics
Publications
33
Citations
1.6K
H-Index
22
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 chemistry, natural sciences, and computational chemistry.
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 · 524 citations · Full text
Natural Sciences, Chemistry, Computer Science +16
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 · 159 citations · Full text
Natural Sciences, Chemistry, Computational Chemistry +16
Characterizing Uncertainty in Machine Learning for Chemistry
Esther Heid, Charles J. McGill, Florence H. Vermeire et al. · Journal of Chemical Information and Modeling · 2023 · 79 citations · Full text
Computing, Chemistry, Computer Science +17
Quantum mechanical determination of atomic polarizabilities of ionic liquids
Esther Heid, András Szabadi, Christian Schröder · Physical Chemistry Chemical Physics · 2018 · 76 citations
Natural Sciences, Chemistry, Physics +17
Machine-Learning-Guided Discovery of Electrochemical Reactions
Andrew F. Zahrt, Yiming Mo, Kakasaheb Y. Nandiwale et al. · Journal of the American Chemical Society · 2022 · 74 citations · Full text
Natural Sciences, Chemistry, Computer Science +14
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