{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T14:50:53Z","timestamp":1786978253274,"version":"build-2736575974"},"reference-count":60,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2022,1,22]],"date-time":"2022-01-22T00:00:00Z","timestamp":1642809600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100004663","name":"Ministry of Science and Technology, Taiwan","doi-asserted-by":"publisher","award":["110-2221-E-038-001-MY2"],"award-info":[{"award-number":["110-2221-E-038-001-MY2"]}],"id":[{"id":"10.13039\/501100004663","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Molecular Informatics"],"published-print":{"date-parts":[[2022,6]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>The skeleton is one of the most important organs in the human body in assisting our motion and activities; however, bone density attenuates gradually as we age. Among common bone diseases are osteoporosis and Paget's, two of the most frequently found diseases in the elderly. Nowadays, a combination of multiple drugs is the optimal therapy to decelerate osteoporosis and Paget's pathologic process, which comes with various underlying adverse effects due to drug\u2010drug interactions (DDIs). Artificial intelligence (AI) has the potential to evaluate the interaction, pharmacodynamics, and possible side effects between drugs. In this research, we created an AI\u2010based machine\u2010learning model to predict the outcomes of interactions between drugs used for osteoporosis and Paget's treatment, which helps mitigate the cost and time to implement the best combination of medications in clinical practice. In this study, a DDI dataset was collected from the DrugBank database within the osteoporosis and Paget diseases. We then extracted a variety of chemical features from the simplified molecular\u2010input line\u2010entry system (SMILES) of defined drug pairs that interact with each other. Finally, machine\u2010learning algorithms were implemented to learn the extracted features. Our stack ensemble model from Random Forest and XGBoost reached an average accuracy of 74\u2009% in predicting DDIs. It was superior to individual models as well as previous methods in terms of most measurement metrics. This study showed the potential of AI models in predicting DDIs of Osteoporosis\u2010Paget's disease in particular, and other diseases in general.<\/jats:p>","DOI":"10.1002\/minf.202100264","type":"journal-article","created":{"date-parts":[[2022,1,5]],"date-time":"2022-01-05T22:29:23Z","timestamp":1641421763000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":87,"title":["An AI\u2010based Prediction Model for Drug\u2010drug Interactions in Osteoporosis and Paget's Diseases from SMILES"],"prefix":"10.1002","volume":"41","author":[{"given":"Truong Nguyen Khanh","family":"Hung","sequence":"first","affiliation":[{"name":"International Master\/Ph.D. Program in Medicine College of Medicine Taipei Medical University  Taipei Taiwan"},{"name":"Department of Orthopedic and Trauma Cho Ray Hospital  Ho Chi Minh City Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4896-7926","authenticated-orcid":false,"given":"Nguyen Quoc Khanh","family":"Le","sequence":"additional","affiliation":[{"name":"Professional Master Program in Artificial Intelligence in Medicine College of Medicine Taipei Medical University  Taipei"},{"name":"Research Center for Artificial Intelligence in Medicine Taipei Medical University  Taipei Taiwan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ngoc Hoang","family":"Le","sequence":"additional","affiliation":[{"name":"Graduate Institute of Biomedical Materials and Tissue Engineering, College of Biomedical Engineering Taipei Medical University  Taipei Taiwan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Le","family":"Van Tuan","sequence":"additional","affiliation":[{"name":"Department of Orthopedic and Trauma Cho Ray Hospital  Ho Chi Minh City Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thuan Phuoc","family":"Nguyen","sequence":"additional","affiliation":[{"name":"Faculty of Mechatronics Engineering Ho Chi Minh City University of Technology  Ho Chi Minh City Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cao","family":"Thi","sequence":"additional","affiliation":[{"name":"Orthopedic and Rehabilitation department University Of Medicine and Pharmacy at Ho Chi Minh city  Ho Chi Minh City Vietnam"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiunn\u2010Horng","family":"Kang","sequence":"additional","affiliation":[{"name":"Professional Master Program in Artificial Intelligence in Medicine College of Medicine Taipei Medical University  Taipei"},{"name":"Department of Physical Medicine and Rehabilitation Taipei Medical University Hospital  Taipei Taiwan"},{"name":"Graduate Institute of Nanomedicine and Medical Engineering, College of Biomedical Engineering Taipei Medical University  Taipei Taiwan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2022,1,22]]},"reference":[{"key":"e_1_2_9_2_1","unstructured":"\u00a0"},{"key":"e_1_2_9_3_2","doi-asserted-by":"publisher","DOI":"10.5040\/9781492595304"},{"key":"e_1_2_9_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.kjms.2011.08.004"},{"key":"e_1_2_9_5_1","unstructured":"\u00a0"},{"key":"e_1_2_9_6_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.bone.2016.02.020"},{"key":"e_1_2_9_7_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcp.26042"},{"key":"e_1_2_9_8_1","unstructured":"\u00a0"},{"key":"e_1_2_9_9_2","doi-asserted-by":"publisher","DOI":"10.1038\/nrdp.2016.69"},{"key":"e_1_2_9_10_2","doi-asserted-by":"publisher","DOI":"10.1093\/gerona\/glt071"},{"key":"e_1_2_9_11_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.compbiomed.2013.09.002"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.2214\/AJR.10.7222"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.5152\/eurjrheum.2016.048"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.beem.2018.05.005"},{"key":"e_1_2_9_15_1","unstructured":"\u00a0"},{"key":"e_1_2_9_16_2","doi-asserted-by":"publisher","DOI":"10.1007\/s00198-011-1891-8"},{"key":"e_1_2_9_17_2","doi-asserted-by":"publisher","DOI":"10.3402\/ijch.v72i0.19596"},{"key":"e_1_2_9_18_2","doi-asserted-by":"publisher","DOI":"10.3109\/13697130903075337"},{"key":"e_1_2_9_19_1","unstructured":"\u00a0"},{"key":"e_1_2_9_20_2","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-813259-3.00021-X"},{"key":"e_1_2_9_21_2","first-page":"92","volume":"43","author":"Tu K. 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