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5 results in Keywords: interpretable machine learning

Theoretical and Computational Chemistry

From Data to Chemistry: Revealing Causality and Reaction Coordinates through Interpretable Machine Learning in Supramolecular Transition Metal Catalysis

Radu A. Talmazan, Jakob Gamper, Ivan Castillo, Thomas S. Hofer, Maren Podewitz

Version 1 posted 25 June 2024

239

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Materials Science

Data science accelerates energy device development

Shuan Cheng, Xiao Cui, William Chueh, Shijing Sun

Version 2 posted 01 April 2024

482

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Materials Chemistry

Revealing Structure-Property Relationships in Polybenzenoid Hydrocarbons with Interpretable Machine-Learning

Shachar Fite, Alexandra Wahab, Eno Paenurk, Zeev Gross, Renana Gershoni-Poranne

Version 1 posted 16 May 2022

402

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1

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Materials Science

Discovery of unconventional proton-conducting inorganic solids via defect-chemistry-trained, interpretable machine learning

Susumu Fujii, Yuta Shimizu, Junji Hyodo, Akihide Kuwabara, Yoshihiro Yamazaki

Version 3 posted 19 June 2023

921

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Scientific Machine Learning of 2D Perovskite Nanosheet Formation

Jakob C Dahl, Samuel Niblett, Yeongsu Cho, Xingzhi Wang, Ye Zhang, Emory Chan, A. Paul Alivisatos

Version 1 posted 07 June 2023

259

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