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All Journal IJCCS (Indonesian Journal of Computing and Cybernetics Systems) Seminar Nasional Aplikasi Teknologi Informasi (SNATI) Jurnal Ilmiah Teknik Elektro Komputer dan Informatika (JITEKI) Indonesia Symposium on Computing Indonesian Journal on Computing (Indo-JC) IJoICT (International Journal on Information and Communication Technology) JOIN (Jurnal Online Informatika) Jurnal Teknologi dan Sistem Komputer Sinkron : Jurnal dan Penelitian Teknik Informatika Jurnal RESTI (Rekayasa Sistem dan Teknologi Informasi) JURNAL MEDIA INFORMATIKA BUDIDARMA Building of Informatics, Technology and Science Journal of Computer System and Informatics (JoSYC) Jurnal Teknik Informatika (JUTIF) JINAV: Journal of Information and Visualization eProceedings of Engineering
Erwin Budi Setiawan
Telkom University
Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Electrical & Electronics Engineering Engineering Industrial & Manufacturing Engineering Library & Information Science Mathematics

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Journal : IJCCS (Indonesian Journal of Computing and Cybernetics Systems)

 1 
Implementation of Ensemble Methods on Classification of CDK2 Inhibitor as Anti-Cancer Agent Isman Kurniawan; Mela Mai Anggraini; Annisa Aditsania; Erwin Budi Setiawan
IJCCS (Indonesian Journal of Computing and Cybernetics Systems) Vol 17, No 1 (2023): January
Publisher : IndoCEISS in colaboration with Universitas Gadjah Mada, Indonesia.

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijccs.78537

Abstract

Cancer is known as the second leading cause of death worldwide. About 7-10 million cases of death by cancer occur every year. The recent treatment to heal the cancer is chemotherapy. However, chemotherapy treatment is known to have side effects and cell resistance issues to certain drugs. Therefore, it is required to develop a new drug that can reduce the side effects and provide a better treatment effect. In general, anti-cancer drugs are developed by targeting Cyclin-Dependent Kinase 2 (CDK2) enzyme. Conventional drug design is not effective and efficient for obtaining new drug candidates because of no information about the biological activity before it is synthesized. In this study, we aim to develop a model to predict the activity of CDK2 inhibitors by using ensemble methods, i.e.,  XGBoost, Random Forest, and AdaBoost. The study was conducted by calculating several fingerprints, i.e., Estate, Extended, Maccs, and Pubchem, as feature variables. Based on the results, we found that Random Forest with Pubchem fingerprint gives the best result with the value of Matthews Correlation Coefficient (MCC) and Area Under the ROC Curve (AUC) values are 0.979 and 0.999, respectively. From this study, we contributed to revealing the potency of the ensemble with fingerprint in bioactivity prediction, especially CDK2 inhibitors as anti-cancer agents.
Co-Authors Aditya Mahendra Zakaria Agung Toto Wibowo Ahmad Zahri Ruhban Adam Aji Reksanegara Alvi Rahmy Royyan Anang Furkon RIfai Ananta Ihza Ramadhan Anindika Riska Intan Fauzy Annisa Aditsania Annisa Aditsania Annisa Cahya Anggraeni Annisa Cahya Anggraeni Annisa Rahmaniar Dwi Pratiwi Arie Ardiyanti Arki Rifazka Athirah Rifdha Aryani Azrina Fazira Ansshory Bagas Teguh Imani Billy Anthony Christian Martani Brenda Irena Brigita Tenggehi Crisanadenta Wintang Kencana Damarsari Cahyo Wilogo Daniar Dwi Pratiwi Daniar Dwi Pratiwi Dede Tarwidi Dedy Handriyadi Dery Anjas Ramadhan Dhinta Darmantoro Diaz Tiyasya Putra Dion Pratama Putra Diyas Puspandari Faidh Ilzam Nur Haq Fathurahman Alhikmah Fathurahman Alhikmah Febiana Anistya Feby Ali Dzuhri Fhina Nhita Fhina Nhita Fida Nurmala Nugraha Ghani Kamil Ghina Dwi Salsabila Gita Safitri Grace Yohana Grace Yohana Hanif Reangga Alhakiem Helmi Sunjaya Ramadhan Hildan Fawwaz Naufal Hilman Bayu Aji Husnul Khotimah Farid I Gusti Ayu Putu Sintha Deviya Yuliani I Kadek Candradinata Ilyana Fadhilah Iqbal, Bayu Muhammad Irma Palupi Isabella Vichita Kacaribu Isep Mumu Mubaroq Isman Kurniawan Kartika Prameswari Kemas Muslim Lhaksmana, Kemas Muslim Kevin Usmayadhy Wijaya Luthfi Firmansah M. Arif Bijaksana Mahmud Imrona Mansel Lorenzo Nugraha Marissa Aflah Syahran Marissa Aflah Syahran Maulina Gustiani Tambunan Mela Mai Anggraini Moh Adi Ikfini M Muhammad Afif Raihan Muhammad Faiq Ardyanto Putro Muhammad Khiyarus Syiam Muhammad Kiko Aulia Reiki Muhammad Noer Ibnu Sina Muhammad Nur Ilyas Muhammad Shiba Kabul Muhammad Tsaqif Muhadzdzib Ramadhan Nabilla Kamil Naufal Adi Nugroho Nisa Maulia Azahra Nur Ihsan Putra Munggaran Rafi Anandita Wicaksono Raisa Sianipar Rakhmat Rifaldy Rayhan Rahmanda Refka Muhammad Furqon Rendo Zenico Ridho Maulana Cahyudi Rizki Annas Sholehat Rizki Tri Setiawan Roji Ellandi Sari Ernawati Saut Sihol Ritonga Septian Nugraha Kudrat Septian Nugraha Kudrat Shakina Rizkia Siti Inayah Putri Sri Suryani Sri Suryani Sukmawati Dwi Lestari Wida Sofiya Windy Ramadhanti Yoan Maria Vianny Yuliant Sibaroni ZK Abdurahman Baizal