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Journal : JOIN (Jurnal Online Informatika)

Implementation of Ant Colony Optimization – Artificial Neural Network in Predicting the Activity of Indenopyrazole Derivative as Anti-Cancer Agent Isman Kurniawan; Nabilla Kamil; Annisa Aditsania; Erwin Budi Setiawan
JOIN (Jurnal Online Informatika) Vol 8 No 1 (2023)
Publisher : Department of Informatics, UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/join.v8i1.1055

Abstract

Cancer is a disease induced by the abnormal growth of cells in body tissues. This disease is commonly treated by chemotherapy. However, at first, cancer cells can respond to the activity of chemotherapy over time, but over time, resistance to cancer cells appears. Therefore, it is required to develop new anti-cancer drugs. Indenopyrazole and its derivative have been investigated to be a potential drug to treat cancer. This study aims to predict indenopyrazole derivative compounds as anti-cancer drugs by using Ant Colony Optimization (ACO) and Artificial Neural Network (ANN) methods. We used 93 compounds of indenopyrazole derivative with a total of 1876 descriptors. Then, the descriptors were reduced by using the Pearson Correlation Coefficient (PCC) and followed by the ACO algorithm to get the most relevant features. We found that the best number of descriptors obtained from ACO is ten descriptors. The ANN prediction model was developed with three architectures, which are different in hidden layer number, i.e., 1, 2, and 3 hidden layers. Based on the results, we found that the model with three hidden layers gives the best performance, with the value of the R2 test, R2 train, and Q2 train being 0.8822, 0.8495, and 0.8472, respectively.
Implementation of Ant Colony Optimization – Artificial Neural Network in Predicting the Activity of Indenopyrazole Derivative as Anti-Cancer Agent Kurniawan, Isman; Kamil, Nabilla; Aditsania, Annisa; Setiawan, Erwin Budi
JOIN (Jurnal Online Informatika) Vol 8 No 1 (2023)
Publisher : Department of Informatics, UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15575/join.v8i1.1055

Abstract

Cancer is a disease induced by the abnormal growth of cells in body tissues. This disease is commonly treated by chemotherapy. However, at first, cancer cells can respond to the activity of chemotherapy over time, but over time, resistance to cancer cells appears. Therefore, it is required to develop new anti-cancer drugs. Indenopyrazole and its derivative have been investigated to be a potential drug to treat cancer. This study aims to predict indenopyrazole derivative compounds as anti-cancer drugs by using Ant Colony Optimization (ACO) and Artificial Neural Network (ANN) methods. We used 93 compounds of indenopyrazole derivative with a total of 1876 descriptors. Then, the descriptors were reduced by using the Pearson Correlation Coefficient (PCC) and followed by the ACO algorithm to get the most relevant features. We found that the best number of descriptors obtained from ACO is ten descriptors. The ANN prediction model was developed with three architectures, which are different in hidden layer number, i.e., 1, 2, and 3 hidden layers. Based on the results, we found that the model with three hidden layers gives the best performance, with the value of the R2 test, R2 train, and Q2 train being 0.8822, 0.8495, and 0.8472, respectively.
Co-Authors Abdullah, Athallah Zacky Adriana, Kaysa Azzahra Adyatma, I Made Darma Cahya Agung Toto Wibowo Ahmad Zahri Ruhban Adam Aji Reksanegara Aji, Hilman Bayu Alvi Rahmy Royyan Anang Furkon RIfai Anindika Riska Intan Fauzy Annisa Aditsania Annisa Cahya Anggraeni Annisa Cahya Anggraeni Annisa Rahmaniar Dwi Pratiwi Arie Ardiyanti Arki Rifazka Arsytania, Ihsani Hawa Athirah Rifdha Aryani Aufa Ab'dil Mustofa Aydin, Raditya Bagas Teguh Imani Bayu Muhammad Iqbal Bayu Surya Dharma Sanjaya Billy Anthony Christian Martani Bintang Ramadhan, Rifaldy Brenda Irena Brigita Tenggehi Cahyudi, Ridho Maulana 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, Dion Pratama Diyas Puspandari Evi Dwi Wahyuni Faadhilah, Adhyasta Naufal Faidh Ilzam Nur Haq Farid, Husnul Khotimah Fathurahman Alhikmah Fathurahman Alhikmah Fazira Ansshory, Azrina Febiana Anistya Feby Ali Dzuhri Fhina Nhita Fhina Nhita Fida Nurmala Nugraha Fikri Maulana, Fikri Firdaus, Dzaki Afin Fitria, Mahrunissa Azmima Fitria Gde Bagus Janardana Abasan, I Ghina Dwi Salsabila Gita Safitri Grace Yohana Grace Yohana Hafiza, Annisaa Alya Hanif Reangga Alhakiem Hildan Fawwaz Naufal Husnul Khotimah Farid I Gusti Ayu Putu Sintha Deviya Yuliani I Kadek Candradinata Ibnu Sina, Muhammad Noer Ilyana Fadhilah Inggit Restu Illahi Inggit Restu Illahi Irma Palupi Isep Mumu Mubaroq Isman Kurniawan Kacaribu, Isabella Vichita Kamil, Ghani Kamil, Nabilla Kartika Prameswari Kemas Muslim Lhaksmana Kevin Usmayadhy Wijaya Khamil, Muhammad Khamil Khoirunnisa, Sanabila 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 Moh. Hilman Fariz Muhammad Afif Raihan Muhammad Faiq Ardyanto Putro Muhammad Khiyarus Syiam Muhammad Kiko Aulia Reiki Muhammad Nur Ilyas Muhammad Shiba Kabul Muhammad Tsaqif Muhadzdzib Ramadhan Mustofa, Aufa Ab'dil Nabilla Kamil Naufal Adi Nugroho Naufal Razzak , Robith Nilla, Arliyanna Nindya Erlani, Dea Alfatihah Nisa Maulia Azahra Nur Ihsan Putra Munggaran Nuril Adlan , Muhammad Prahasto, Girindra Syukran Putri, Karina Khairunnisa Rafi Anandita Wicaksono Raisa Sianipar Rakhmat Rifaldy Ramadhan, Ananta Ihza Ramadhan, Helmi Sunjaya Ramadhani, Andi Nailul Izzah Ramadhanti, Windy Rayhan Rahmanda Refka Muhammad Furqon Regina Anatasya Rudiyanto Rendo Zenico Riaji, Dwi Hariyansyah Rizki Annas Sholehat Roji Ellandi Saleh, Abd Salsabil, Adinda Arwa Sanjaya, Bayu Surya Dharma Sari Ernawati Saut Sihol Ritonga Septian Nugraha Kudrat Septian Nugraha Kudrat Setiawan, Rizki Tri Shakina Rizkia Siti Inayah Putri Sri Suryani Sri Suryani Sukmawati Dwi Lestari Syafa Fahreza Syafa Fahreza Syahdan Naufal Nur Ihsan Valentino, Nico Wicaksono, Galih Wasis Wida Sofiya Widiarta, I Wayan Abi Widjayanto, Leonardus Adi Widyanto, Jammie Reyhan Wijaya, Kevin Usmayadhy Windy Ramadhanti Yoan Maria Vianny Yuliant Sibaroni Zahwa Dewi Artika Zakaria, Aditya Mahendra ZK Abdurahman Baizal