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Journal : Journal of Multiscale Materials Informatics

A Machine Learning Model for Evaluation of the Corrosion Inhibition Capacity of Quinoxaline Compounds Setiyanto, Noor Ageng; Azies, Harun Al; Sudibyo, Usman; Pertiwi, Ayu; Budi, Setyo; 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.v1i1.10429

Abstract

Investigating potential corrosion inhibitors via empirical research is a labor- and resource-intensive process. In this work, we evaluated various linear and non-linear algorithms as predictive models for corrosion inhibition efficiency (CIE) values using a machine learning (ML) paradigm based on the quantitative structure-property relationship (QSPR) model. In the quinoxaline compound dataset, our analysis showed that the XGBoost model performed the best predictor of other ensemble-based models. The coefficient of determination (R2), mean absolute percentage error (MAPE), and root mean squared error (RMSE) metrics were used to objectively assess this superiority. To sum up, our study offers a fresh viewpoint on the effectiveness of machine learning algorithms in determining the ability of organic compounds like quinoxaline to suppress corrosion on iron surfaces.
Co-Authors Achmad Nuruddin Safriandono Achmad Wahid Kurniawan Ahmad Akrom, Muhamad Alfa Trisnapradika, Gustina Alzami, Farrikh Amboro, Lulut Andi Rahmad Rahim Andini, Rintin Zulfia Andriani Eko Prihatiningrum, Andriani Eko Apriliyanto, Heru Assyafa, Izza Atto’illah, Mochamad Faiq Ayu Pertiwi Bahari, Nooryan Budi Widjajanto De Rosal Ignatius Moses Setiadi Fitriya, Zumrotus Nur Hagus Tarno Hanny Haryanto Harisa, Ardiawan Bagus Harun Al Azies Herfiani, Kheisya Talitha Herowati, Wise Herowati, Wise Herowati Hidayah, Devi Nurul Hidayat, Moh. Hamdan Husain, Mochammad Jamaluddin Ifan Rizqa Ignasius, Darnell Ignatius Moses Setiadi, De Rosal Imam Sucahyo Imas Kania Rahman Indra Gamayanto Joko Susilo Kholis, Achmad Nur L. Budi Handoko Larasati, Kartika Mahardianti, Dinda Sarasatus Megantara, Rama Aria Moch Anjas Aprihartha Muljono Muljono Muslih Muslih Nafisa, Zahrun Nisa, Isnaini Maulidatu Noor Ageng Setiyanto, Noor Ageng Nur Lailiyah, Wiharyanti Nur Ramadhan, Ashary Nur Safitri, Aprilyani Nurcahyanti, Desy Nurhindarto, Aris Nurjanah, Indah Nurjannah, Indah Pertiwi, Riska Indah Guritno Gita Prabowo, Wahyu Aji Eko Priyadarshini, Rossyda Putra, Zidane Triananda Rahardiansyah, Wahyu Indra Dwiki Rahmad Jumadi Rahman, Imas Kania Rahmawati, Tutus Ramadhan Rakhmat Sani Redjeki, Endah Sri Rini Anggraeni Rofiani, Rofiani Rohmatin Agustina Safitri, Aprilyani Nur Safitri, Riana Intan Sari, Sasmita Sasono Wibowo Sastra, Akhmad Sendi Novianto Setiawan, Aries Shafira, Natasya Risha Soeleman, M Arief Sudiarso Sudiarso Sudibyo, Usman Suhaili, Suhaili Suherlan, Yayan Sukamto, Titien Suhartini Supriadi Rustad Sutrisno Adi Prayitno Suyud Widiono T. Sutojo Talitha, Talitha Anindya Trisnapradika, Gustina Alfa Wahid Kurniawan, Achmad Wahyuingsih, Novita Wati, Deny Dwi Kusuma Wibawa, Tangkas Surya Wiharyanti Nur Lailiyah Yustika, Aninda Zami, Farrikh Al Zumroh, Arofatuz