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Computing formation enthalpies through an explainable machine learning method: the case of lanthanide orthophosphates solid solutions2024 Frontiers in Applied Mathematics and Statistics article Materials Science Machine Learning in Materials Science Open access
Edoardo Di Napoli, Xinzhe Wu, Thomas Bornhake, Piotr M. Kowalski
1citations -
Joint models reveal human subcortical underpinnings of choice and learning behavior2025 Proceedings of the National Academy of Sciences article Neuroscience Neural and Behavioral Psychology Studies Open access
Steven Miletić, Niek Stevenson, Pierre‐Louis Bazin, Anneke Alkemade, Scott JS Isherwood, Anne C. Trutti, +3 more
3citations -
Predicting Grain Boundary Segregation in Magnesium Alloys: An Atomistically Informed Machine Learning Approach2024 RWTH Publications (RWTH Aachen) article Materials Science Magnesium Alloys: Properties and Applications Open access
Zhuocheng Xie, Achraf Atila, Julien Guénolé, Sandra Korte‐Kerzel, Talal Al‐Samman, U. Kerzel
2citations -
Joint models reveal human subcortical underpinnings of choice and learning behaviour2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Neuroscience Neural and Behavioral Psychology Studies Open access
Steven Miletić, Niek Stevenson, Pierre‐Louis Bazin, Anneke Alkemade, Scott JS Isherwood, Anne C. Trutti, +3 more
1citations -
A first-principles and machine learning combined method to investigate the interfacial friction between corrugated graphene2021 Modelling and Simulation in Materials Science and Engineering article Materials Science Machine Learning in Materials Science
Zugang Liu, Xinpeng Zhao, Heyuan Wang, Yuan Ma, Lei Gao, Haiyou Huang, +3 more
9citations -
DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology2021 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access cited by 1 patent
Xuhan Liu, Kai Ye, Herman van Vlijmen, Michael Emmerich, Adriaan P. IJzerman, Gerard J. P. van Westen
118citations