Fractal and Machine Learning Analyses of MALDI-TOF Mass Spectrometry Data in Glioblastoma.

Data preprocessing is a critical step in the analysis of matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry (MALDI-TOF MS) spectra for machine learning applications, typically involving steps such as spectra trimming, baseline correction, smoothing, transformation, and peak picking or spectral binning. While traditional approaches focus on protein/peptide peaks as features, this study explores a novel method of feature extraction by treating MALDI-TOF spectra as one-dimensional signal array further processed as time-series data. This study investigates the use of computational fractal-based analysis to assess the complexity of MALDI-TOF spectra. Fractal analysis, previously successful in glioblastoma diagnosis using magnetic resonance imaging, was applied here to proteomics data. By treating each MALDI spectrum as a time series and calculating its fractal dimension using various algorithms, machine learning models were trained to differentiate between glioblastoma patients and controls. We demonstrate that fractal dimensions are sufficient to obtain accurate models for glioblastoma diagnosis, despite still underperforming when compared to the traditional feature extraction method. We also show that fractals can be used as support features to increase model performance. This work highlights the potential and limitations of fractal analysis in proteomics, offering a new perspective for disease diagnosis and broadening the available computational tools for data analysis in mass spectrometry.