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Journal : JOURNAL OF APPLIED INFORMATICS AND COMPUTING

Z-Score Based Initialization for K-Medoids Clustering: Application on QSAR Toxicity Data Nurdin, Nurdin; Amalia, Nova; Fajriana, Fajriana
Journal of Applied Informatics and Computing Vol. 9 No. 5 (2025): October 2025
Publisher : Politeknik Negeri Batam

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30871/jaic.v9i5.10448

Abstract

The efficiency of clustering algorithms significantly depends on the initialization quality, especially in unsupervised learning applied to complex datasets. This study introduces an enhanced K-Medoids clustering approach using Z-Score-based medoid initialization to improve convergence speed and cluster validity. The method was evaluated using the QSAR Fish Toxicity dataset, consisting of 908 instances and seven numerical features. Initial medoids were selected based on standardized Z-Score values, resulting in a substantial reduction in convergence time from an average of 6 iterations to just 2. Clustering performance was assessed using three internal validation metrics: Davies-Bouldin Index (DBI), Silhouette Coefficient (SC), and Calinski-Harabasz Index (CHI). The DBI score decreased from 1.7328 to 0.8768, indicating improved cluster compactness and separation. In parallel, the SC increased from 0.327 to 0.619, and the CHI rose from 214.75 to 562.43, confirming more coherent and well-separated clusters. These results demonstrate that Z-Score-based initialization significantly boosts the robustness of K-Medoids, offering a simple yet effective strategy for unsupervised partitioning, particularly in toxicological and biochemical data analysis.
Co-Authors A Halim Ahmad Fahrudin Aklimawati Aklimawati Aklimawati Aklimawati, Aklimawati Alawiyah, Mufidah Alifa, Suci Amalia, Nova Amalia, Wildi Aminuyati Andri Kurniawan Ariani, Dini Aris Munandar Aryandi, Aryandi Aryandi, Aryandi Asrianda Asrianda Asrillah Asrillah Atikah Fitriani Atta Illah Aufa, Zurra Yusally Aulia, Riva Aynun, Nur Ayu Ningtiyas, Fitri Ayu Rahmi Azhari Azhari Azlika, Lulu Baso Intang Sappaile, Baso Intang Bustami Bustami Chicha Rizka Gunawan Dabet, Abubakar Dahlan Abdullah Darmansyah, Arif Deassy Siska Dessy Putri Wahyuningtyas Ermatita - Ermatita Ermatita Ermatita Ermatita Eva Darnila Fachrur Rozi Fadlisyah Fadlisyah Fakhrah Febrianti, Fadila Firman Aziz Fitri Ayu Ningtiyas Fitri Ayu Ningtiyas, Fitri Ayu Fuadi, Wahyu Gavinda, Virza gunawan, chicha rizka Gunawan, Chichi Rizka Halimatus Sakdiah Hayatun Nufus Hayatun Nufus Hendra Sudarso Henni Fitriani Herizal Herizal Hidayat, Amam Taufiq Hidayatsyah Hidayatsyah I Gede Iwan Sudipa Imanda, Riska Iryana Muhammad, Iryana Isfayani, Erna Iwan Adicandra Iwan Pahendra Iwan Pahendra Iwan Pahendra Anto Saputra Izza, Nurul Jannah S, Rauzatul Jimmy H Moedjahedy Jumita Sari Khairunnisa Khairunnisa Khairunnisa Khairunnisa Laksono Trisnantoro Listiana, Yeni Lolia Lusiana Rahayu Luthfiah, Moulana M Mursalin M.nasir, Safinatun Najar Maha, Dedi Torang P Mahera, Ulfa Maito, Rizki Minta Mardhatillah, Mona Marhami, Marhami Marwan Marwan Maryana Maryana Maryana Maryana, Maryana Maulida, Maulida Miranda, Firdatul Mona Mardhatillah Muhammad Chairil Abnu Muhammad Faisal Muhammad Fikry Muhammad Muhammad Muhammad Sadli Muhammad Sadli Muhammad Sadli, Muhammad Muhammad, Muhammad Mukti Qamal Mukti Qamal Muliana Muliana, Muliana Muliana, Muliana Muliani, Eva Munawarah Munawarah, Munawarah Munirul Ula Mursalin . Mutammimul Ula Muthmainnah Muthmainnah Muthmainnah Muthmainnah Mutia Fonna Nanda Novita Nasrah, Sayni Nasrah, Sayni NinaUlfauza NinaUlfauza Niswatul Khaira Novia Hasdyna Nur Elisyah Nurahma, Syahfitri Nuraina, Nuraina Nurdin Nurdin Nurdin Nurdin Nurul Afni Sinaga NURUL HAYATI Nurzannah Nurzannah Nurzannah, Nurzannah Nusantara, Badai Charamsar Oktiawati, Unan Yusmaniar Pane, Syamsul Buchori Pasaribu, Jaza Anil Husna Puji Sabrini Qusaiyen, Qusaiyen Rahayu, Lolia Lusiana Rahmawati M Rahmawati M, Rahmawati Rahmia, Rahmia Rasyada, Reza Dian Ratna Unaida, Ratna Retno Ayu Trisnawati Richki Hardi Rifaatul Mahmuzah Riri Syafitri Lubis Rizal Rizal Rizki Akmalia Rizkiana Akmalia Robbi Rahim Rofi’i, Agus Rohantizani Rohantizani Rohantizani, Rohantizani Rozzi Kesuma Dinata Sadewa, Bima Safriana Safriana Safwandi Safwandi Safwandi Safwandi, Safwandi Salama, Umi Samsinar Samsinar Santosa, Tomi Apra Saragih, Novilia Junianti Sinaga, Nurul Afni Sirait, Nur Al Fira Siraj Siraj Siraj Siregar, M. Ali Akbar Sri Setyawati Suryati Suryati Suyatmo, Suyatmo Suzana, Yenny Syahputra, Azhar Syahrina Intan Syamsul Bahri Syarah, Fatmah Syarifah Rita Zahara Tjut Adek, Rizal Ulfah, Julia Ulvityatni Umaiya, Fazilah Veirrel, Dwi Harsya Ramadhan Via Yustitia Wahyu Fuadi Wahyu Fuadi Wahyu Fuadi Wulandari Wulandari Wulandari Wulandari Yulia Zahara Yulidayanti, Yulidayanti - Yundari, Yundari Zahratul Fitri Zaman, Qamaruz Zara Yunizar Zulfa Zulfa Zulfia , Anni Zuraida Zuraida