Mass-Suite: a novel open-source python package for high-resolution mass spectrometry data analysis - Hu, Ximin; Mar, Derek; Suzuki, Nozomi; Zhang, Bowei; Peter, Katherine T.; Beck, David A. C.; Kolodziej, Edward P. (Journal of cheminformatics, 2023)
Keywords: Algorithms; Annotations; Chemistry; Chemistry and Materials Science; Clustering; Computational Biology/Bioinformatics; Computer Applications in Chemistry; Data analysis; Data mining; Data processing; Data reduction; Data visualization; Documentation and Information in Chemistry; Feature extraction; High resolution; Information management; Learning algorithms; Machine learning; Mass spectrometry; Mass spectroscopy; Modelling; Non-targeted analysis; Open source software; Prediction models; Public domain; Public software; Python; Quality assessment; Quality control; Reliability; Scientific imaging; Scientific visualization; Software; Software packages; Source apportionment; Source tracking; Statistical analysis; Theoretical and Computational Chemistry; Unsupervised machine learning; Visualization (Computers); Water quality; Water quality assessments; Unsupervised machine learning; Source tracking; Non-targeted analysis; Mass spectrometry; Source apportionment; Python