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All Journal International Journal of Advances in Data and Information Systems JoMMiT : Jurnal Multi Media dan IT
Aprilyani Nur Safitri
Universitas Dian Nuswantoro
Computer Science & IT Electrical & Electronics Engineering

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Artificial Intelligence Berbasis QSPR Dalam Kajian Inhibitor Korosi Muhamad Akrom; Usman Sudibyo; Achmad Wahid Kurniawan; Noor Ageng Setiyanto; Ayu Pertiwi; Aprilyani Nur Safitri; Novianto Hidayat; Harun Al Azies; Wise Herawati
JoMMiT Vol 7, No 1 (2023)
Publisher : Politeknik Negeri Media Kreatif

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.46961/jommit.v7i1.721

Abstract

Baja termasuk material yang memiliki ketahanan rendah terhadap serangan korosi Ketika berada pada lingkungan korosif. Inhibitor organik mampu menghambat korosi dengan efisiensi inhibisi yang tinggi. Tinjauan komparatif penting bagi pengembangan metode evaluasi kinerja inhibitor disajikan dalam karya ini. Kami mereview perkembangan artificial intelligence berbasis mesin learning dengan model QSPR dalam kajian penghambatan korosi. Makalah ini menjelaskan bagaimana metode pembelajaran mesin berbasis data dapat menghasilkan model yang menghubungkan sifat-aktivitas molekuler dengan penghambatan korosi oleh inhibitor berbasis bahan alam (green inhibitor). Teknik ini dapat digunakan untuk memprediksi kinerja senyawa yang belum disintesis atau diuji. Keberhasilan model ini memberikan paradigma untuk penemuan senyawa baru yang cepat, penghambat korosi yang efektif untuk berbagai logam dan paduan.
Predicting Methanol Space-Time Yield from CO? Hydrogenation Using Machine Learning: Statistical Evaluation of Penalized Regression Techniques Harun Al Azies; Muhamad Akrom; Setyo Budi; Gustina Alfa Trisnapradika; Aprilyani Nur Safitri
International Journal of Advances in Data and Information Systems Vol. 5 No. 2 (2024): October 2024 - International Journal of Advances in Data and Information System
Publisher : Indonesian Scientific Journal

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.59395/ijadis.v5i2.1341

Abstract

This study investigates the effectiveness of machine learning techniques, specifically penalized regression models Ridge Regression, Lasso Regression, and Elastic Net Regression in predicting methanol space-time yield (STY) from CO? hydrogenation data. Using a dataset derived from Cu-based catalyst research, the study implemented a comprehensive preprocessing approach, including data cleaning, imputation, outlier removal, and normalization. The models were rigorously evaluated through 10-fold cross-validation and tested on unseen data. Ridge Regression outperformed the other models, achieving the lowest Root Mean Squared Error (RMSE) of 0.7706, Mean Absolute Error (MAE) of 0.5627, and Mean Squared Error (MSE) of 0.5938. In comparison, Lasso and Elastic Net Regression models exhibited higher error metrics. Feature importance analysis revealed that Gas Hourly Space Velocity (GHSV) and Molar Masses of Support significantly influence catalytic activity. These findings suggest that Ridge Regression is a promising tool for accurately predicting methanol production, providing valuable insights for optimizing catalytic processes and advancing sustainable practices in chemical engineering.
Co-Authors Achmad Wahid Kurniawan Ayu Pertiwi Gustina Alfa Trisnapradika Harun Al Azies Muhamad Akrom Noor Ageng Setiyanto, Noor Ageng Novianto Hidayat Setyo Budi Usman Sudibyo Wise Herawati