2024-08-24Zeitschriftenartikel
Machine learning methods for compound annotation in non-targeted mass spectrometry—A brief overview of fingerprinting, in silico fragmentation and de novo methods
Russo, Francesco F.; Nowatzky, Yannek; Jaeger, Carsten; Parr, Maria K.; Benner, Phillipp; Muth, Thilo; Lisec, Jan
Non-targeted screenings (NTS) are essential tools in different fields, such as forensics, health and environmental sciences. NTSs often employ mass spectrometry (MS) methods due to their high throughput and sensitivity in ...
