chemistry Algorithms 1 Chromatography, Liquid 1 Cluster Analysis 1 Data Compression 1 Data mining 1 Data representations 1 Entropy 1 Enzymes 1 Essential features 1 Hierarchical clustering 1 Hierarchical strategies 1 Hierarchical systems 1 K-means clustering 1 Kinetics 1 Large-scale cluster analysis 1 Learning algorithms 1 Liquid chromatography 1 Machine learning 1 Mass Spectrometry 1 Mass spectrometry 1 Mass spectrometry analysis 1 Mass spectrometry data 1 Multi-core machines 1 Objective functions 1 Optimal transport 1 Peptides 1 Probability 1 Proteomics 1 State-of-the-art methods 1