A component-based framework for knowledge discovery in bioinformatics
Proceedings of the 12th ACM SIGKDD international conference on Knowledge discovery and data mining
Link test-A statistical method for finding prostate cancer biomarkers
Computational Biology and Chemistry
Using ontologies for preprocessing and mining spectra data on the grid
Future Generation Computer Systems - Special section: Data mining in grid computing environments
Combinatorial Approaches for Mass Spectra Recalibration
IEEE/ACM Transactions on Computational Biology and Bioinformatics (TCBB)
MaSDA: A system for analyzing mass spectrometry data
Computer Methods and Programs in Biomedicine
Efficient model-based clustering for LC-MS data
WABI'06 Proceedings of the 6th international conference on Algorithms in Bioinformatics
Gaussian mixture decomposition in the analysis of MALDI-TOF spectra
Expert Systems: The Journal of Knowledge Engineering
Services, standards, and technologies for high performance computational proteomics
ISPA'07 Proceedings of the 2007 international conference on Frontiers of High Performance Computing and Networking
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Summary: Pre-processing of chromatographic profile or mass spectral data is an important aspect of many types of proteomics and biomarker discovery experiments. Here we present a graphical computational tool, SpecAlign, that enables simultaneous visualization and manipulation of multiple datasets. SpecAlign not only provides all common processing functions, but also uniquely implements an algorithm that enables the complete alignment of each mass spectrum within a loaded dataset. We demonstrate its utility by aligning two datasets each containing six spectra; one set was acquired prior to instrument calibration and the other following calibration. Availability:The software is free of charge and available for download from http://ptcl.chem.ox.ac.uk/~jwong/specalign. Supports Windows operating systems including Windows 9X/NT/2000/XP. Contact: jason.wong@chem.ox.ac.uk