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All Journal Jurnal Masyarakat Informatika International Journal of Advances in Data and Information Systems Abdimasku : Jurnal Pengabdian Masyarakat JoMMiT : Jurnal Multi Media dan IT Jurnal Teknoif Teknik Informatika Institut Teknologi Padang Journal of Multiscale Materials Informatics
Safitri, Aprilyani Nur
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Chemical Engineering, Chemistry & Bioengineering Computer Science & IT Control & Systems Engineering Economics, Econometrics & Finance Electrical & Electronics Engineering Health Professions Industrial & Manufacturing Engineering Materials Science & Nanotechnology Social Sciences

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Journal : Journal of Multiscale Materials Informatics

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Development of a Machine Learning Model to Predict the Corrosion Inhibition Ability of Benzimidazole Compounds Safitri, Aprilyani Nur; Trisnapradika, Gustina Alfa; Kurniawan, Achmad Wahid; Prabowo, Wahyu AJi Eko; Akrom, Muhamad
Journal of Multiscale Materials Informatics Vol. 1 No. 1 (2024): April
Publisher : Universitas Dian Nuswantoro

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.62411/jimat.v1i1.10464

Abstract

The purpose of this study is to use quantitative structure-property relationship (QSPR)-based machine learning (ML) to examine the corrosion inhibition capabilities of benzimidazole compounds. The primary difficulty in ML development is creating a model with a high degree of precision so that the predictions are correct and pertinent to the material's actual attributes. We assess the comparison between the extra trees regressor (EXT) as an ensemble model and the decision tree regressor (DT) as a basic model. It was discovered that the EXT model had better predictive performance in predicting the corrosion inhibition performance of benzimidazole compounds based on the coefficient of determination (R2) and root mean square error (RMSE) metrics compared DT model. This method provides a fresh viewpoint on the capacity of ML models to forecast potent corrosion inhibitors.
Co-Authors Achmad Wahid Kurniawan Akrom, Muhamad Ayu Pertiwi Harun Al Azies Herawati, Wise Herowati, Wise Hidayat, Novianto Hidayat, Novianto Nur Ifan Rizqa Imanuel Harkespan Moch Anjas Aprihartha Muhammad Naufal, Muhammad Noor Ageng Setiyanto, Noor Ageng Prabowo, Wahyu Aji Eko Sudibyo, Usman Supriadi Rustad Trisnapradika, Gustina Alfa