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Maulana, Aga
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Mathematics Medicine & Pharmacology Neuroscience Physics Public Health Social Sciences Other

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Journal : Malacca Pharmaceutics

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Integrating Genetic Algorithm and LightGBM for QSAR Modeling of Acetylcholinesterase Inhibitors in Alzheimer's Disease Drug Discovery Noviandy, Teuku Rizky; Maulana, Aga; Idroes, Ghazi Mauer; Maulydia, Nur Balqis; Patwekar, Mohsina; Suhendra, Rivansyah; Idroes, Rinaldi
Malacca Pharmaceutics Vol. 1 No. 2 (2023): October 2023
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/mp.v1i2.60

Abstract

This study explores the use of Quantitative Structure-Activity Relationship (QSAR) studies using genetic algorithm (GA) and LightGBM to search for acetylcholinesterase (AChE) inhibitors for Alzheimer's disease. The study uses a dataset of 6,157 AChE inhibitors and their IC50 values. A LightGBM model is trained and evaluated for classification performance. The results show that the LightGBM model achieved high performance on the training and testing set, with an accuracy of 92.49% and 82.47%, respectively. This study demonstrates the potential of GA and LightGBM in the drug discovery process for AChE inhibitors in Alzheimer's disease. The findings contribute to the drug discovery process by providing insights about AChE inhibitors that allow more efficient screening of potential compounds and accelerate the identification of promising candidates for development and therapeutic use.
Co-Authors Abas, Abdul Hawil Abd Rahman, Sunarti Aprianto . Asep Rusyana Dharma, Dian Budi Diah, Muhammad Earlia, Nanda Eko Suhartono El-Shazly, Mohamed Emran, Talha Bin Enitan, Seyi Samson Erkata Yandri Faisal, Farassa Rani Ghazi Mauer Idroes Hewindati, Yuni Tri Hizir Sofyan Husdayanti, Noviana Idroes, Ghadamfar Muflih Idroes, Ghalieb Mutig Idroes, Ghazi M. Idroes, Ghifari M. Irsan Hardi Irvanizam, Irvanizam Kairupan, Tara S. Kemala, Pati Khairan Khairan Khairul, Mhd Khalijah Awang Kusumo, Fitranto Lala, Andi Maria Paristiowati Marwan Marwan Maulydia, Nur Balqis Mikyal Bulqiah, Mikyal Misbullah, Alim Muhammad Adam, Muhammad Muhammad Subianto Muhammad Yusuf Mukhlisuddin Ilyas Muksalmina Muksalmina Mursyida, Waliam Muslem Muslem, Muslem Musvira, Intan Niode, Nurdjannah Jane Nizamuddin Nizamuddin Noviandy, Teuku R. Nurdjannah J. Niode Nurleila, Nurleila Patwekar, Mohsina Prakoeswa, Cita RS. Rahman, Isra Farliadi Ramadeska, Siti Raudhatul Jannah Razief Perucha Fauzie Afidh Rinaldi Idroes Ringga, Edi Saputra Rizkia, Tatsa Sasmita, Novi Reandy Satrio, Justinus Souvia Rahimah sufriani, sufriani Sugara, Dimas Rendy Suhendra , Rivansyah Suhendra, Rivansyah Suhendrayatna Suhendrayatna Suryadi Suryadi Taufiq Karma Teuku Rizky Noviandy Teuku Zulfikar TRINA EKAWATI TALLEI Zahriah, Zahriah Zhilalmuhana, Teuku Zuchra Helwani, Zuchra Zulkarnain Jalil Zurnila Marli Kesuma