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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Zheludkevich, Mikhail
Helmholtz-Zentrum Hereon
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (18/18 displayed)
- 2024Exploring the Effect of Microstructure and Surface Recombination on Hydrogen Effusion in Zn–Ni‐Coated Martensitic Steels by Advanced Computational Modelingcitations
- 2023Searching the chemical space for effective magnesium dissolution modulators: a deep learning approach using sparse features
- 2023Predicting corrosion inhibition efficiencies of small organic molecules using data-driven techniques
- 2022Chromate-Free Corrosion Protection Strategies for Magnesium Alloys—A Review: Part II—PEO and Anodizingcitations
- 2022The Role of Cu-Based Intermetallic on the Direct Growth of a ZnAl LDH Film on AA2024citations
- 2021The Influence of in‐situ Anatase Particle Addition on the Formation and Properties of Multi‐Functional Plasma Electrolytic Oxidation Coatings on AA2024 Aluminium Alloycitations
- 2021The Stability and Chloride Entrapping Capacity of ZnAl-NO2 LDH in High-Alkaline/Cementitious Environmentcitations
- 2021Predicting the inhibition efficiencies of magnesium dissolution modulators using sparse machine learning models
- 2020A first-principles analysis of the charge transfer in magnesium corrosioncitations
- 2020A first-principles analysis of the charge transfer in magnesium corrosioncitations
- 2020ATR-FTIR in Kretschmann configuration integrated with electrochemical cell as in situ interfacial sensitive tool to study corrosion inhibitors for magnesium substrates
- 2020Magnetic Properties of La<sub>0.9</sub>A<sub>0.1</sub>MnO<sub>3</sub> (A: Li, Na, K) Nanopowders and Nanoceramicscitations
- 2020Magnetic Properties of La0.9A0.1MnO3 (A: Li, Na, K) Nanopowders and Nanoceramicscitations
- 2019Data science based mg corrosion engineering
- 2019Effect of unequal levels of deformation and fragmentation on the electrochemical response of friction stir welded AA2024-T3 alloycitations
- 2019Enhanced predictive corrosion modeling with implicit corrosion productscitations
- 2017Role of Phase Composition of PEO Coatings on AA2024 for In-Situ LDH Growthcitations
- 2017Direct Synthesis of Electrowettable Carbon Nanowall–Diamond Hybrid Materials from Sacrificial Ceramic Templates Using HFCVDcitations
Places of action
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article
Predicting the inhibition efficiencies of magnesium dissolution modulators using sparse machine learning models
Abstract
The degradation behaviour of magnesium and its alloys can be tuned by small organic molecules. However, an automatic identification of effective organic additives within the vast chemical space of potential compounds needs sophisticated tools. Herein, we propose two systematic approaches of sparse feature selection for identifying molecular descriptors that are most relevant for the corrosion inhibition efficiency of chemical compounds. One is based on the classical statistical tool of analysis of variance, the other one based on random forests. We demonstrate how both can—when combined with deep neural networks—help to predict the corrosion inhibition efficiencies of chemical compounds for the magnesium alloy ZE41. In particular, we demonstrate that this framework outperforms predictions relying on a random selection of molecular descriptors. Finally, we point out how autoencoders could be used in the future to enable even more accurate automated predictions of corrosion inhibition efficiencies.