Forward-predictive SERS-based chemical taxonomy for untargeted structural elucidation of epimeric cerebrosides

• Main Authors: Tan, Emily Xi, Leong, Shi Xuan, Liew, Wei An, Phang, In Yee, Ng, Jie Ying, Tan, Nguan Soon, Lee, Yie Hou, Ling, Xing Yi
• Other Authors: School of Chemistry, Chemical Engineering and Biotechnology
• Format: Article
• Language: English
• Published: 2024
• Subjects: Medicine, Health and Life Sciences; Chemical fingerprinting; Hydrophobicity
• Online Access: https://hdl.handle.net/10356/174716
• Institution: Nanyang Technological University

Achieving untargeted chemical identification, isomeric differentiation, and quantification is critical to most scientific and technological problems but remains challenging. Here, we demonstrate an integrated SERS-based chemical taxonomy machine learning framework for untargeted structural elucidati...