METIK JURNAL
Vol. 10 No. 1 (2026): METIK Jurnal Issue Published

Prediksi Aksebilitas Molekul Tamu pada Metal-Organic Framework dengan SMOTE dan AdaBoost-Machine Learning

Moch Anjas Aprihartha (Universitas Dian Nuswantoro)
Harun Al Azies (Universitas Dian Nuswantoro)
Wahyu Aji Eko Prabowo (Universitas Dian Nuswantoro)
Usman Sudibyo (Universitas Dian Nuswantoro)
Ika Puspitasari (Universitas Dian Nuswantoro)
Indah Putianik (Universitas Dian Nuswantoro)
Fatma Ahardika Nurfaizal (Universitas Dian Nuswantoro)



Article Info

Publish Date
30 Jun 2026

Abstract

Metal-Organic Frameworks (MOFs) are a special class of organic-inorganic hybrid materials widely known for their regular and periodic crystal structures. MOFs are composed of metal ions or clusters connected by organic linkers that form a three-dimensional lattice-shaped series. The advantage of MOFs is their ability to capture guest molecules in their pores. Based on these capabilities, MOFs can be utilized in various applications such as gas absorption and separation processes, catalysts, and therapeutic compound delivery systems. Currently, in creating new materials, the MOFs synthesis process still applies a conventional trial-and-error approach that has the potential for high failure rates. The purpose of this study is to develop a machine learning model as an efficient tool design in creating new MOFs materials before the experimental process is carried out. This study implements the SMOTE and AdaBoost methods integrated with machine learning algorithms in classifying MOFs pores based on the pore limiting diameter (PLD) size. The results obtained from the CART-Gentle AdaBoost model provide the best performance with an accuracy of 72.82%; precision 71.32%; recall 73.53%; specificity 72.88%; and f1 score 72.39%. This model is quite suitable for use in identifying MOF structures that are accessible to guest molecules compared to other classification models.

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Journal Info

Abbrev

metik

Publisher

Subject

Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Earth & Planetary Sciences Electrical & Electronics Engineering

Description

Media Teknologi Informasi dan Komputer (METIK) Jurnal adalah jurnal teknologi dan informasi nasional berisi artikel-artikel ilmiah yang meliputi bidang-bidang: sistem informasi, informatika, multimedia, jaringan serta penelitian-penelitian lain yang terkait dengan bidang-bidang tersebut. Terbit dua ...