Herowati, Wise and Akrom, Muhamad Comparative Study of Classical, Quantum, and Hybrid Stacking Models for Predicting Corrosion Inhibition Efficiency Using QSAR Descriptors. Journal of Multiscale Materials Informatics. ISSN 3047-5724
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Abstract
This study investigates the performance of classical, quantum, and hybrid classical-quantum stacking models in predicting Corrosion Inhibition Efficiency (IE%) using 14 QSAR descriptors. The hybrid model combines a Gradient Boosting Regressor (GBR) and a Quantum Support Vector Regressor (QSVR) through a meta-learner (Ridge Regression). Results show a significant improvement over traditional models. The hybrid stacking model achieved an R² of 0.834, an MSE of 8.123, an MAE of 2.371, and an RMSE of 2.850, outperforming both individual classical and quantum models. These results confirm the strength of hybrid models in capturing both complex nonlinear and quantum-interaction patterns in QSAR-based molecular prediction.
Item Type: | Article |
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Subjects: | Q Science > Q Science (General) T Technology > T Technology (General) |
Depositing User: | dladmin fts |
Date Deposited: | 16 Jun 2025 11:04 |
Last Modified: | 16 Jun 2025 11:04 |
URI: | https://dl.futuretechsci.org/id/eprint/117 |
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Comparative Study of Classical, Quantum, and Hybrid Stacking Models for Predicting Corrosion Inhibition Efficiency Using QSAR Descriptors. (deposited 16 Jun 2025 11:04)
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