How doppelgänger effects in biomedical data confound machine learning

• Main Authors: Wang, Li Rong, Wong, Limsoon, Goh, Wilson Wen Bin
• Other Authors: Lee Kong Chian School of Medicine (LKCMedicine)
• Format: Article
• Language: English
• Published: 2022
• Subjects: Engineering::Computer science and engineering; Computational Biology; Data Science
• Online Access: https://hdl.handle.net/10356/155991
• Institution: Nanyang Technological University

Machine learning (ML) models have been increasingly adopted in drug development for faster identification of potential targets. Cross-validation techniques are commonly used to evaluate these models. However, the reliability of such validation methods can be affected by the presence of data doppelgä...