TY - JOUR U1 - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed) A1 - Horsch, Salome A1 - Kopczynski, Dominik A1 - Kuthe, Elias A1 - Baumbach, Jörg A1 - Rahmann, Sven A1 - Rahnenführer, Jörg T1 - A detailed comparison of analysis processes for MCC-IMS data in disease classification - automated methods can replace manual peak annotations JF - PLOS ONE N2 - The best fully automated analysis process achieves even better classification results than the established manual process. The best algorithms for the three analysis steps are (i) SGLTR (Savitzky-Golay Laplace operator filter thresholding regions) and LM (Local Maxima) for automated peak identification, (ii) EM clustering (Expectation Maximization) and DBSCAN (Density-Based Spatial Clustering of Applications with Noise) for the clustering step and (iii) RF (Random Forest) for multivariate classification. Thus, automated methods can replace the manual steps in the analysis process to enable an unbiased high throughput use of the technology. Y1 - 2017 UN - https://nbn-resolving.org/urn:nbn:de:bsz:rt2-opus4-14870 U6 - https://doi.org/10.1371/journal.pone.0184321 DO - https://doi.org/10.1371/journal.pone.0184321 VL - 12 IS - 9 SP - 1 EP - 16 S1 - 16 PB - PLOS CY - Lawrence, Kan. ER -