Article Per Year (5 Year)
p-Index From 2021 - 2026
11.683
P-Index
This Author published in this journals
All Journal Jurnal Akuntansi & Auditing Indonesia Jurnal KALAM Journal of Economics, Business, & Accountancy Ventura Kontinu: Jurnal Penelitian Didaktik Matematika Jurnal Mudarrisuna: Media Kajian Pendidikan Agama Islam Jurnal Ilmu Produksi dan Teknologi Hasil Peternakan Terampil : Jurnal Pendidikan dan Pembelajaran Dasar Teosofia: Indonesian Journal of Islamic Mysticism Equilibrium: Jurnal Ilmiah Ekonomi, Manajemen dan Akuntansi JMPM: Jurnal Matematika dan Pendidikan Matematika Desimal: Jurnal Matematika al-Uqud : Journal of Islamic Economics The Spirit of Society Journal : International Journal of Society Development and Engagement JPPI (Jurnal Pendidikan Islam Pendekatan Interdisipliner) Jurnal Surya Masyarakat Ultima Management : Jurnal Ilmu Manajemen Jurnal Abdimas PHB : Jurnal Pengabdian Masyarakat Progresif Humanis Brainstorming M A T H L I N E : Jurnal Matematika dan Pendidikan Matematika Jurnal Review Pendidikan dan Pengajaran (JRPP) Journal of Contemporary Accounting Jurnal Abdimas Madani dan Lestari (JAMALI) Jurnal Ekonomi Manajemen Sistem Informasi Jurnal Ilmiah Edunomika (JIE) Proceeding of National Conference on Accounting & Finance Journal of Robotics and Control (JRC) Proceedings of Annual Conference for Muslim Scholars Jurnal Riset Akuntansi Kontemporer The Indonesian Journal of Accounting Research Abdimasku : Jurnal Pengabdian Masyarakat El-Wasathiya: Jurnal Studi Agama Riwayah : Jurnal Studi Hadis Jambura Journal of Biomathematics (JJBM) Tadarus Tarbawy : Jurnal Kajian Islam dan Pendidikan Jurnal Kepariwisataan Euler : Jurnal Ilmiah Matematika, Sains dan Teknologi SCHOOLAR: Social and Literature Study in Education Edupedia: Jurnal Studi Pendidikan dan Pedagogi Islam JUKESHUM: Jurnal Pengabdian Masyarakat Mimbar Agama Budaya Progresif : Media Publikasi Ilmiah Center of Knowledge Journal of Tropical Food and Agroindustrial Technology Millah: Journal of Religious Studies Asean International Journal of Business Jurnal Ekonomi Syariah dan Hukum Islam Aceh Journal of Community Engagement (AJCE) Ekalaya: Jurnal Pengabdian Kepada Masyarakat Indonesia Jurnal Ekonomi Kreatif dan Manajemen Bisnis Digital (JEKOMBITAL) Indonesian Journal of Education Research (IJoER) Journal of Pharmaceutical and Sciences. Eksponensial Narra X Jurnal Sains Alami (Known Nature) International Journal of Innovation and Education Research Indonesian Journal of Applied Mathematics Jurnal Sains dan Teknologi Transcendent Journal of Mathematics and Applications Leuser Journal of Environmental Studies Grimsa Journal of Science Engineering and Technology Al-Kharaj: Jurnal Ekonomi, Keuangan & Bisnis Syariah Jurnal Investasi Islam Adpebi Science Series AJER : Advanced Journal of Education and Religion Jurnal Pengabdian dan Pemberdayaan Kesehatan Al-Insyiroh: Jurnal Studi Keislaman EDUCATIONAL: Jurnal Inovasi Pendidikan dan Pengajaran Jurnal Pengabdian Tangerang Selatan Neraca: Jurnal Ekonomi, Manajemen dan Akuntansi Journal of Humanities Research Sustainability COUNS-EDU: The International Journal of Counseling and Education
Mahmudi Mahmudi
Program Pasca Sarjana Fakultas Ilmu Agama Islam, Universitas Islam Indonesia, Yogyakarta
Religion Aerospace Engineering Agriculture, Biological Sciences & Forestry Arts Humanities Automotive Engineering Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Electrical & Electronics Engineering Energy Engineering Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Mathematics Mechanical Engineering Medicine & Pharmacology Nursing Physics Public Health Social Sciences Veterinary Other

Published : 103 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search
Journal : Narra X

 1 
Random forest-based QSAR modeling for predicting the potency of neprilysin inhibitors using Mordred molecular descriptors Albar, Nizam; Rampengan, Derren DCH.; Azhari, Saiful; Mahmudi, Mahmudi; Fahdhienie, Farrah; Susilawati, Anggi; Habiburrahman, Muhammad
Narra X Vol. 4 No. 1 (2026): April 2026 (In Press)
Publisher : Narra Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52225/narrax.v4i1.242

Abstract

Neprilysin (NEP) is a zinc-dependent metallopeptidase, considered a key therapeutic target in heart failure management. Efficient identification of potent NEP inhibitors remains a challenge in drug discovery. The aim of this study was to develop a quantitative structure–activity relationship (QSAR) model using 2D Mordred molecular descriptors and Random Forest algorithms to predict the inhibitory potency (pIC50) of drug candidates. A curated dataset of compounds with experimentally determined IC₅₀ values (in nM) against NEP was preprocessed and converted to pIC50. Mordred was used to calculate 2D molecular descriptors, and descriptors with missing values were excluded. The dataset was split into training, internal validation, and external test sets. A Random Forest regression model was trained using 500 estimators, and model performance was evaluated using R2, root mean square error (RMSE), mean absolute error (MAE), and concordance correlation coefficient (CCC), while a binary classification model was also constructed. Feature importance, residual analysis, and chemical space visualization were conducted to assess model interpretability and reliability. The regression model demonstrated moderate to strong predictive performance, with R2 of 0.286, RMSE of 0.949, MAE of 0.723, and CCC of 0.532 in the internal validation. External validation showed improved generalization, with R2=0.659, RMSE=0.858, MAE=0.630, and CCC=0.763. Binary classification revealed an accuracy of 0.953, precision of 1.000, recall of 0.943, and an F1-score of 0.971, indicating strong discriminative ability in classifying inhibitory versus non-inhibitory compounds. Top contributing descriptors included ATSC2p (feature importance=0.0505), GATS2p (0.0408), and SaasC (0.0317). Principal component analysis (PCA) and Williams plots confirmed that test compounds lie within the model’s applicability domain, with no major outliers in leverage or residual distribution. The developed Random Forest-based QSAR model demonstrates strong predictive power and interpretability for identifying NEP inhibitors. This study provides a valuable tool for virtual screening and highlights the relevance of 2D structural features in governing NEP inhibitory activity. It is the first dedicated QSAR analysis of neprilysin inhibition using Mordred descriptors with rigorous internal and external validation.
Co-Authors Abda Abda Abdul Muis Achmad Taufiq Adinanta, Hendra Adyatma, Adnan Azis Agus Arwani Agus Imam Santoso Agus Supriyadi Agus Winarsih Ahmad Taufiq Ahsanul Anam, Ahsanul Aisyah, Maulidyati Al Ghifari , Abudzar Albar, Nizam Alfariza, Agus Aziz Alwi, Alwi Shobri Andrini, Woro Anggi Susilawati Anida Anida Anida Anida, Anida Ardhian Putra, Govan Arif Khoiruddin, Muhammad Artana, I Wayan Arta Arya Imamuddin Koeswara, Arya Imamuddin Asep Rusyana Asmuki, Asmuki Astria, Kenny Azhari, Saiful Azizi, Nur Azzahra, Panca Rahmi Baiturrahman, Baiturrahman Bambang Saputra Baraba, Rania Abdul Aziz Bulut, Sefa Chairul Amriyah Dachi, Andreas Aditama Dahri, Ahmad Danang Setyadi Darin Calancita Dekar Urumsah Dewi Nindiasari, Avininda Dewi, Herlina Rahmawati Dhea Urfina Zulkifli Dwi Ariyani, Asri Dwi Rugiarti, Novi Elfiyanti, Gustina Elfurqany, Nuwairy Fachrunniza, Yunda Fahmi, Mulkan Fanny Novika Farrah Fahdhienie Fidia Deny Tisna Amijaya Hadi, Bawa Mulyono Hadi, Nasrul Hafnani Hafnani Hamdi, Syaiful Hari Santoso Harjianto, Puji Hasanah Hasanah Herawati Susilo Herlina Rahmawati Dewi Hidayat, Afnenda Rachmalia Hindriari, Reni Iftihor, Iftihor Ika Sarah Mahsitah Ilmawati, Dwi Irkhamuddin, Irkhamuddin Irma Fauziah Irma Rahayu, Irma Jakaria Jakaria Jakfar Rohman, Muhammad Amin Junaidi Junaidi Kabes, Wetty Queenisa Kandiri, Kandiri Kwantono, Hansel Timothy Lesmana, Diyan Lestari, Winda Ayu Mei Lestariningsih, Titin Lie, Oleh Tjhing Man lie, Tjhing Man Linawati , Linawati Linawati Linawati Lutfan Milzam, Ahmad Lutfi, Saiful M. Yogi Riyantama Isjoni Machnunah Ani Zulfah, Machnunah Ani Maftukhah, Tatik Mahmud, Dini Rosyada Man Lie, Tjhing Manan, Muhammad Abdul Martin, Bryanda Arya Prabusta Mau, Daniel Pandu Mau, Yesarela Pandu Maulidi, Ikhsan Maysun, Maysun Mentari Maghfirani Riyadi Muhamad Abdul Manan Muhamad Syazali MUHAMMAD AGIL Muhammad Habiburrahman, Muhammad Muhammad Ikhwan Muhammad Manaqib, Muhammad Muhammad Ramadhan Muhammad Yusuf Mulyono Hadi, Bawa Mulyono, Bawa Hadi Munawaroh Munawaroh Mursyidah, Nelly Murti, Ridho Bayu Mutia Farida, Mutia Mutiara Annisa Muzdalipah Musda Muzdalipah Najamuddin , Yunan Najamuddin, Yunan Nina Fitriyati Nisrina Nur Aini Nur Rizky Apdaresena Nurfauziya, Ahada Nurillah, Usmau Lidya Nurmaleni, Nurmaleni Nurmaulidar Nurmaulidar Nurul Hikmah Pamularsi, Anggita Pasaribu, Sri Rizki Aprilianti Prabowo, Ivy Dian Puspitasari Prakosa, Jalu A. Pratiwi, Enggar B. Prayoga, Galuh Purwowibowo Purwowibowo, Purwowibowo R. Priyanto Rachman, Anita Rafiq Maulana Rahima Rahima Rahman, Sunarti Abd Raiyan, Raiyan Rampengan, Derren DCH. Rara Mita Mayang Aginsyah Ratna Ekawati Reni Yendrawati Renny Sukmono, Renny Rifqi Muhammad Rina Kurniaty Rinaldi Idroes Ristawati, Ristawati Rito Goejantoro, Rito Riyanto, Eko Riza Rahmady Daeng Rizal, Alvin Noor Sahab Rizki, Anggun Robiatul Adawiyah Rosita Rosita Rosye H.R. Tanjung Rustandi, Dadang Safira, Satyarani Safitri, Issa Bella Safitri, Nur Izzati Safrina, Nurul Said Hasibuan, M. Saiful Amri Saimul Laili Salami, Muhammad Musyfiq Samsudi, Wedi Samsudin, Mohamad Aso Saputra, T Murdani Savitri, Enny Setiawan, Eureka Milky Shaleh, Munif Sidqi, Serin Tias Siti Rusdiana Siti Sarah, Siti Sofiya, Sofiya Sofwan Hidayat, Muhtar Sri Lestari Sri Wahyuni Suharno Suharno Sukamto, Ika Sumiyarsi Sukapti, Sri Supatmin, Supatmin Supeni Sufaati Supriyadi Supriyadi Suryadi Suryadi Sutanto, Taufik Edy Suwandi , Suwandi Suyud El Syam , Robingun Suyyinah, Suyyinah Syahrini, Intan Syarif Nurhidayat Tarigan, Daniel Christian Teduh Dirgahayu, Teduh Umamul Barik, Zaidus Surur Umar Faruq Usman, Tarmizi Vina Apriliani Wahidah, Nina Ikhwati Wibawa, Dwi Ari WIDIASTUTI - Widiastuti Widiastuti Wijaya, Madona Yunita Wijonarko, Sensus Yanne Irene, Yanne Yuliana Yuliana Yusuf , Muhammad Yusuf, Achmad zamroni, Thoif Zulfiani, Utari