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Journal : Infolitika Journal of Data Science

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 . Hasmunir, . AA Sudharmawan, AA Abdul Basit Abdul Wahab Abdi, Abdul Wahab Ade Kurniawan Adev, Sarra Mutiara Adriana Palimbo, Adriana Afrizal Tanjung Agustin, Wanni Ahmad Suriansyah Aidin, Winda Ainii, Lathifah Qurrotu Aisyah Idris Ajahari Ajahari, Ajahari Akmal Muhni Al Asadullah, Salahuddin Al-Qodri, Muhandri Ali Zaenal Abidin Alwi, M. Amaluddin Amalia, Athira Putri Ananda, Riska Andromeda Andromeda Anggraeni, Rara Angkat, Chairunnisa T D E Angraeni, Nia Annisa, Nur Ainun Annisya Muthmainnah Takdir apriyanda, Apri Yanda Aqida, Debbi Silvia Aqida, Debby Silvia Ariq, Muhammad Ariyani, Eka Vivin Aryantiningsih, Dwi Sapta Asisah, Asisah Aslamiah Aslamiah Asrika, Asrika Asrizal Ayuningtyas, Tri Bahrul Ulum Basri, Moh Budinurdjaja, Pribakti Bunga, Bunga Burhanuddin Burhanuddin Burlianda, Muhammad Bustamam, Nurbaity Choirunnisa, Aulia Cinantya, Celia Darusman, Mhd. Ricky Deski, Alwiandra Dessy Artina Destia Khairunisa Destia Khairunnisa, Destia Dorisno, Dorisno Duski Samad Dwi Jayanti, Nur Fadillah Dwi Salmarini, Desilestia Eddy Kurniawan Erliyani, Rahmida Erna Erna, Erna Fakhriah, Fakhriah Fatni Mufit Fattahillah, Achmad Fauzi, M. Rafif Fauzi, Muhammad Amin Febrian, Afreza Ferawati Ferawati Festiyed Fitri Ayu Ningtiyas, Fitri Ayu Fitri Yuliana, Fitri Fitri, Khairunnisa Fitriyani Fitriyani Fona , Zahara Frasandy, Rendy Ghazi Mauer Idroes Hafidza, Amanda Hafifah, Noor Hagabean, Mora Hanafiah, Mahmudi Haniif, Ibnu Hasanah, Tiara Hayatun Nufus HB, Zulfahmi Hendra, Faisal Heny Djoehaeni Herinawati, Herinawati Hidayati Husaini Husaini Husen, Tamitha Intassar Ibnu Rusydy Ida Ayu Putu Sri Widnyani Idaryani Idaryani Ikalor, Allvanialista Ilmi, Ahmad Tantowi Imaduddin, Ilmi Rizki Imelda, Eva Indah Indah Indah Octaviani Indri Saputri Devi Intan Intan Irfan Dani Irvanizam, Irvanizam Ismail Marzuki Ismuhar, Muhammad Jadmiko, Pridharma Jalaluddin Jalaluddin Jannah, Siti Rain Jayanti, Ummi Nur Afinni Dwi Julian, Hendri Kamar, Iqbal Kariyam, K Khaira , Niswatul Kurniawan, Erizal Kurniawan, Randi Lahmuddin Lubis Lestari, Nisa Lisa Fitriani Lubis, Isnaini Anggina Lufri Lufri Luhfi, Muhammad Lutfi, Saiful M.Nur, Abdullah Magdalena, Ina Malkan, Mardhiya Agustina Manalu, Kartika Manfarisyah, Manfarisyah Mardzatillah, Mardzatillah Marhamah Marhamah Maruddani, Raoda Tul Jannah Maulana, Aga Mawaddah, Fauzana Jihan Maysyarah , Siti Meidiantri Meisya, Rovika Milya Sari Miranda, Osy Muh. Nur Akbar Muhammad fauzan Muhammad Hidayat Muhammad Imaduddin Muhammad Khalil Muhammad Muhammad Murfi, Indah Permata Muslem Muslem, Muslem Najihuddin, Ach Nasution, Abdul Fattah Nirmala, Dhea Noor, Raudha Jasmine Norlatifah, Norlatifah Novalia Widiya Ningrum, Novalia Widiya noviandy Noviantik, Dicha Novita, Nada Febri Novitasari Novitasari Nuella, Annike Nur Azizah Nur Thahirah Umajjah, Nur Thahirah Nurfadhillah, Septy Nurhaliza, Hani Nurhamidi NUrhamidi, Nurhamidi Nurhayati Nurhayati Oktavia, Rani Palawi, Ari Pohan, Dhea Afriza Pribadi, Mahmud Prima Aswirna Purba, Sri Hajijah Putra, Rayhan Dwi Putra, Sandijal Putri, Salsabila Azharia Putri, Setria Milda Putro, Khamim Zarkasih QOLBI, NURUL Rabani, Muhamad Ariq Fakhri Rafiie, Said Achmad Kabiru Rahmani, Dyah Rahmawati, Dwi Nur Ummi Rahmi, Indriati Ramadhan, Wandri Ramadhan, Yusuf Fadillah Ramadhani, Santi Raudah, Syufi Razi, T. Khairol Razief Perucha Fauzie Afidh Refli Surya Barkara Reza Fahmi Rifkah, Aqila Rifqi, Muhammad Wildan Rinaldi Idroes Riska Amelia Rizka. S, Nazwa Rojana, Salsa Romadhani, Muhammad Arisa Romadona , Nur Faizah Roselina Panghiyangani Rossy, Rossy Sabarudin Sabarudin Sabil, Fadel Safarida, Nanda Safina, Siti Sara Safitri, Feby Safitri, Ravena Aulia Sagala, Ardin Rizky Andre Saharuddin Daming Sahkholid Nasution Salmarini, Zulliati Samsudin Sandijal Putra Sandijal Putra Sandijal Putra Sandijal Putra Putra Sari, Afrina Aulia Sari, Lyta Novia Sartika*, Dewi Sasmita, Novi Reandy Sekar Wulandari Siddik, Muhammad Silvia Kristanti Tri Febriana Simanungkalit, Egi Wendi Sitepu, Dhea Salsabila Br. SITI MARYAM Sofyan A. Gani Sofyan Jafar Suhendra, Rivansyah Supadmi, Tri Surawan, Surawan Suryadi Fajri Susanti Suhartati, Susanti Syafira, Listi Tri Syahfitri, Nabila Syahputra, Fadli Syahrianursaifi, Syahrianursaifi Syahrul R, Syahrul Syahwaliyah, Putri SYAIFUL BAHRI Syamsir Syamsir Syamsuddin Syamsul Arifin syaputrizal, nelsi Syukur, Ahmad Teuku Rizky Noviandy Teuku Samsul Bahri Toshniwal, Navneet Shamsundar Tri setyani, Gading Retna Umri, Umri Utami, Hani Rahayu Budi Wahidanur Wahyuni, Rahayu Wandra, Bima Fri Wicaksono, Muhammad Ari Witdianti, Yeni Wulandari Wulandari Wulandari, Amalia Sri Yerimadesi Yerimadesi Yulandra, Rianty Yulia Qamariyanti Yulia Yulia Yulia, Murni Yunita Yunita Yusliza, Yusliza Zainal A. Muchlisin Zainul Anwar Zainul Mujtahid Zalvia, Eliza Titi Zamani, Anwar Zuleha Zulfajri, Zulfajri Zulnazri, Z