@inproceedings{bc89d8db8c594f35b272e233f928f529,
title = "DISCO2: A comprehensive peak alignment algorithm for two-dimensional gas chromatography time-of-flight mass spectrometry",
abstract = "A novel two-stage peak alignment algorithm, DISCO2, was developed for analysis of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS) data. This algorithm uses a mixture similarity measure to determine whether two peaks were generated by the same type of compound in different experiments. In the first stage, the algorithm detects and merges multiple peak entries of the same compound into one peak entry in each input peak list. Landmark peaks are selected from all samples based on two-dimensional retention times and mass spectral similarity. In the second stage, the original retention time shifts in the two-dimensional GC are corrected using a local linear fitting method. A progressive retention time mapping method is then employed to align peaks in all samples based on the parameters optimized in the first alignment stage.",
keywords = "GC×GC-TOFMS, mixture similarity, peak alignment, retention time",
author = "Bing Wang and Aiqin Fang and Xue Shi and Kim, {Seong Ho} and Xiang Zhang",
year = "2011",
doi = "10.1007/978-3-642-24553-4_64",
language = "English (US)",
isbn = "9783642245527",
series = "Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)",
pages = "486--491",
booktitle = "Bio-Inspired Computing and Applications - 7th International Conference on Intelligent Computing, ICIC 2011, Revised Selected Papers",
note = "7th International Conference on Intelligent Computing, ICIC 2011 ; Conference date: 11-08-2011 Through 14-08-2011",
}