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Geoffrey Pourtois
ORCID
Publication Activity (10 Years)
Years Active: 2023-2023
Publications (10 Years): 1
Top Topics
Structural Information
Complex Structures
Active Learning
Error Rate
Top Venues
J. Chem. Inf. Model.
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Publications
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Esteban Marques
,
Stefan De Gendt
,
Geoffrey Pourtois
,
Michiel J. van Setten
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information.
J. Chem. Inf. Model.
63 (5) (2023)