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Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Pathways, Metabolites and Disease Maciej Lalowski Biomedicum Helsinki, Helsinki University Trasmed course 02.11.2010

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Page 1: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Pathways, Metabolites and Disease

Maciej Lalowski

Biomedicum Helsinki,Helsinki University

Trasmed course 02.11.2010

Maciej Lalowski
Final
Page 2: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Hierarchical Clustering

Basics

Page 3: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Hierarchical ClusteringWe have a number of datapoints in an n-dimensional space, and want to evaluate which data points clustertogether.

This can be done with a hierarchicalclustering approach

It is done as follows:

1) Find the two elements with thesmallest distance (that means themost similar elements)

2)These two elements will be clusteredtogether. The cluster becomes a newelement

3)Repeat until all elements areclustered

Page 4: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Page 5: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Important parameters in hierarchical clustering are:

The distance methodThis measure defines how the distance between two datapoints is measuredin generalAvailable options: Euclidean (default), Minkowski, Cosine, Correlation,Chebychev, Spearman

The linkage methodThis defines how the distance between two clusters is measuredAvailable options: Average (default) and Ward

Use PCA data:Determines if the data is pretreated with a PCA.Only reasonable if used withEuclidean metrics and with a reduction of explained variance

Page 6: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Entrez Gene: http://www.ncbi.nlm.nih.gov/gene/:

Page 7: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Entrez Gene: http://www.ncbi.nlm.nih.gov/gene/:

Page 8: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Entrez Gene: http://www.ncbi.nlm.nih.gov/gene/:

Page 9: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

AmiGO: http://amigo.geneontology.org/

Page 10: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Gene Ontology annotation: http://www.ebi.ac.uk/GOA/

Page 11: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Gene Cards: http://www.genecards.org/

Page 12: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Gene Cards: http://www.genecards.org/

Page 13: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Gene Cards: http://www.genecards.org/

Page 14: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

Gene Cards: http://www.genecards.org/

Page 15: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

KEGG http://www.genome.jp/kegg/

Page 16: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

KEGG http://www.genome.jp/kegg/

Page 17: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

KEGG http://www.genome.jp/kegg/

Page 18: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

KEGG http://www.genome.jp/kegg/

Page 19: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

REACTOME

Page 20: Protein Chemistry/Proteomics/Mass spectrometry …research.med.helsinki.fi/corefacilities/proteinchem/...Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki Hierarchical

Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

REACTOME

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Protein Chemistry/Proteomics/Mass spectrometry Uni. of Helsinki

OMIM