An automated toxicity based prioritization framework for fast chemical characterization in non-targeted analysis

• Main Authors: Yang, Junjie, Zhao, Fanrong, Zheng, Jie, Wang, Yulan, Fei, Xunchang, Xiao, Yongjun, Fang, Mingliang
• Other Authors: School of Civil and Environmental Engineering
• Format: Article
• Language: English
• Published: 2023
• Subjects: Engineering::Environmental engineering; Non-targeted Analysis; Automatic Prioritization
• Online Access: https://hdl.handle.net/10356/170040
• Institution: Nanyang Technological University

Identification of environmental pollutants with harmful effects is commonly conducted by non-targeted analysis (NTA) using liquid chromatography coupled with high-resolution mass spectrometry. Prioritization of possible candidates is important yet challenging because of the large number of candidate...