Search for collections on FTS Digilib

Comparative Study of Classical, Quantum, and Hybrid Stacking Models for Predicting Corrosion Inhibition Efficiency Using QSAR Descriptors

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

This is the latest version of this item.

[thumbnail of JIMAT Template_1 (1-6).pdf] Text
JIMAT Template_1 (1-6).pdf

Download (370kB)

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
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

Available Versions of this Item

Actions (login required)

View Item
View Item