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Muslem Muslem, Muslem
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Journal : Infolitika Journal of Data Science

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ANFIS-Based QSRR Modelling for Kovats Retention Index Prediction in Gas Chromatography Idroes, Rinaldi; Noviandy, Teuku Rizky; Maulana, Aga; Suhendra, Rivansyah; Sasmita, Novi Reandy; Muslem, Muslem; Idroes, Ghazi Mauer; Jannah, Raudhatul; Afidh, Razief Perucha Fauzie; Irvanizam, Irvanizam
Infolitika Journal of Data Science Vol. 1 No. 1 (2023): September 2023
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v1i1.73

Abstract

This study aims to evaluate the implementation and effectiveness of the Adaptive Neuro-Fuzzy Inference System (ANFIS) based Quantitative Structure Retention Relationship (QSRR) to predict the Kovats retention index of compounds in gas chromatography. The model was trained using 340 essential oil compounds and their molecular descriptors. The evaluation of the ANFIS models revealed promising results, achieving an R2 of 0.974, an RMSE of 48.12, and an MAPE of 3.3% on the testing set. These findings highlight the ANFIS approach as remarkably accurate in its predictive capacity for determining the Kovats retention index in the context of gas chromatography. This study provides valuable perspectives on the efficiency of retention index prediction through ANFIS-based QSRR methods and the potential practicality in compound analysis and chromatographic optimization.
Co-Authors - Fakhrurrazi . Azmeri, . ahmad yani Ainal Mardhiah Aisy, Rishazatul Akbar, Zulhiddin Alberto Noviano Patty Alfiady, Teuku Aminuyati Asbudi Asbudi Asna, Saifal Azwar Thaib Bhayu Gita Bhernama Binawati Ginting Dahlan Abdullah Depita Kardiati Destiana, Khaerunisa Dewi. M, Nur Sari Dwitawati, Ima Efilda, Adila Putri Fahrizal Fahrizal Faisal Syahputra, Faisal Fajrina, Salina Ahdia Ghazi Mauer Idroes Hakim, Rachmi F. Hanafiah, Olivia A. Hanan, Dafif Hayatina, Maulida Hayatun Nufus Heri Fajri, Heri Husna, Zahrotul Husni Mubarrak Ikhwan, Hady Inanta, Nora Silva Irvanizam, Irvanizam Isfanda, Isfanda Iskandar Iskandar Jafaruddin Jafaruddin, Jafaruddin Joshi, Jaghdish S. Junaidi Arsyad, Junaidi Kemala, Pati Kiflah, Marzatul Lala, Andi Lia Handayani, Lia Listia, Ayu Marlina Marlina Matsum, Hasan Maulana, Aga Maulydia, Nur Balqis Miftahul Jannah Muammar Yulian MUH. FICHRIYADI HASTIRA Muhammad Azis Muhammad Farid Muhammad Wali, Muhammad Muhammad Yusuf Mujiburrahman -, Mujiburrahman Muliyani, Tri Mulyadi Mulyadi Munira, Widia Muryali, Muryali N. Nazaruddin Nasution, Salmah Nazila, Dara Ningsih, Indah Putri Nisah , Khairun Nurhayati Nurhayati Putra, Noviandi I. Raudhatul Jannah Razief Perucha Fauzie Afidh Reni Silvia Nasution Reza Muttaqin, Reza Muttaqin Rinaldi Idroes Rivansyah Suhendra Romadhoni, Yenni Safira, Maulida Salsabila, Athaya Saputra, Feri Sari, Suci Indah Sasmita, Novi Reandy Shafira, Ghina A. Shafrida Wati, Shafrida Sofyan Sofyan Suhendra, Rivansyah Suryana, Nina Syamsidik, Syamsidik Teuku Rizky Noviandy Ulhaq, Muhammad Zia Yukadhirza, Vitra Yuli Santri Isma Zahriah, Zahriah