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PATTERN EXPERT amspect 2

Multivariate Data Analysis of Mass Spectra with PATTERN EXPERT

The software amspect 2 allows users of mass spectrometry to widen the scope of their applications in proteomics significantly. Frequently, the aim in mass spectrometry is not to identify pure substances, but to analyze and characterize complex mixtures of substances. Usually, this requires the work of specialists and considerable investments in time and money. Intelligent (i.e. learning) methods of analysis may significantly facilitate this work, or they may even be necessary prerequisites for a difficult task to be carried out.

Many applications of mass spectrometry aim at assembling a collection of spectra, which is intended to be used for comparative analyses. One important question in this context is, which criteria should be used to assess the collection's quality. Here, the software amspect2 turns out to be an extraordinarily valuable tool. If the collected spectra allow to cope with a (reasonable) classification task, one may be sure that the spectra are of acceptable quality.

One important example of application of mass spectrometry is the analysis of proteins and peptides using MALDI-TOFMS (matrix-assisted laser desorption/ionization time-of-flight mass spectrometry) or SELDI-TOFMS (surface-enhanced laser desorption/ionisation time-of-flight mass spectrometry). With these methods, mass spectrometry is developing into an extraordinarily powerful tool for medical and biological research, as well as for clinical diagnostics.

Let us mention some applications in the life sciences:

early diagnosis of cancer
determination of cancer stages
customizing of therapies
classification of responders/non-responders
classification of bacteria

The Software "PATTERN EXPERT amspect 2"

The program "PATTERN EXPERT amspect 2" (analyzing mass spectra) allows for a comparatively simple analysis of complex and difficult data with multivariate data analysis. The system's main focus is on pattern recognition methods for classification. Powerful modern classification algorithms enable the user to analyze his spectra according to several user-defined class assignment schemes.

A number of clear visualization tools for the spectra facilitate the work. Moreover, the user receives valuable detailed information about all aspects of the classification process and also interesting biomarkers.

Operation of the software is quite simple. Consequently, the user is able to set up sophisticated applications based on the given mass spectra within a short period of time.

The software has been tested with a series of examples and has yielded unsurpassed results.

A case study:

We have received 282 spectra of bacteria out of 13 different species from our development partner, the team of Prof. Klaus Eschrich (University of Leipzig). Our task was to try to identify the respective species by the mass spectra. With "PATTERN EXPERT amspect 2" we could achieve a 98.6% correct assignment in a cross validation test (i.e. 278 out of 282 spectra have been classified correctly).

One Tool for Both, Genomics and Proteomics

In addition to the actual spectra, "PATTERN EXPERT amspect 2" is able to record further user-defined data and exploit it in order to improve classification performance. E.g., in a medical application each spectrum may be supplemented by genetic information, particularly by SNPs or additional micro array data.

For further information, please, contact PATTERN EXPERT.