Tools for computational processing of LC-MS datasets: A user's perspective
Computer Methods and Programs in Biomedicine
Multivariate classification of urine metabolome profiles for breast cancer diagnosis
Proceedings of the third international workshop on Data and text mining in bioinformatics
Robust peak detection and alignment of nanoLC-FT mass spectrometry data
EvoBIO'07 Proceedings of the 5th European conference on Evolutionary computation, machine learning and data mining in bioinformatics
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Summary: New additional methods are presented for processing and visualizing mass spectrometry based molecular profile data, implemented as part of the recently introduced MZmine software. They include new features and extensions such as support for mzXML data format, capability to perform batch processing for large number of files, support for parallel processing, new methods for calculating peak areas using post-alignment peak picking algorithm and implementation of Sammon's mapping and curvilinear distance analysis for data visualization and exploratory analysis. Availability: MZmine is available under GNU Public license from http://mzmine.sourceforge.net/ Contact: matej.oresic@vtt.fi