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bioinformatics.amu.edu.pl




       CompaRNA: a server for continuous benchmarking
       of automated methods for RNA structure prediction


                                      Tomasz Puton, M.Sc.




                                         Bioinformatics Laboratory
                            Institute of Molecular Biology and Biotechnology
                                             Faculty of Biology
                                        Adam Mickiewicz University
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    Outline of the presentation:

    1)  What is CompaRNA?

    2)  CompaRNA features

    3)  Future perspectives

    4)  Acknowledgements
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    Outline of the presentation:

    1)  What is CompaRNA?

    2)  CompaRNA features

    3)  Future perspectives

    4)  Acknowledgements
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    The CompaRNA server


    A continuous benchmark of automated standalone and
    web server methods for RNA secondary structure prediction.
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    The CompaRNA server


    A continuous benchmark of automated standalone and
    web server methods for RNA secondary structure prediction.


     Equivalent of Livebench (http://meta.bioinfo.pl/livebench.pl)
     in the field of RNA structure predition.
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    The CompaRNA server


    A continuous benchmark of automated standalone and
    web server methods for RNA secondary structure prediction.


     Equivalent of Livebench (http://meta.bioinfo.pl/livebench.pl)
     in the field of RNA structure predition.

     The aim of CompaRNA is to assess the state of the art in the field,
     provide a detailed picture of what is possible with the available tools,
     where the progress is made and what major problems remain.
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/

                             New RNAs
                                                                       CompaRNA
                                                                       ENGINE



                                          Experimentally solved RNA structures
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/

                             New RNAs
                                                                       CompaRNA
                                                                       ENGINE


     RNA sequences                        Experimentally solved RNA structures
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/

                             New RNAs
                                                                       CompaRNA
                                                                       ENGINE


     RNA sequences                        Experimentally solved RNA structures




        RNA 2D METHODS
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/

                             New RNAs
                                                                       CompaRNA
                                                                       ENGINE


     RNA sequences                        Experimentally solved RNA structures



                                               Predictions
        RNA 2D METHODS
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/

                             New RNAs
                                                                       CompaRNA
                                                                       ENGINE


     RNA sequences                        Experimentally solved RNA structures



                                               Predictions              Rankings
        RNA 2D METHODS
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/

                             New RNAs
                                                                       CompaRNA
                                                                       ENGINE


     RNA sequences                        Experimentally solved RNA structures



                                               Predictions              Rankings
        RNA 2D METHODS

                                                                   WWW
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/

                             New RNAs
                                                                       CompaRNA
                                                                       ENGINE


     RNA sequences                        Experimentally solved RNA structures



                                               Predictions              Rankings
        RNA 2D METHODS

                                                                   WWW
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/

                             New RNAs
                                                                       CompaRNA
                                                                       ENGINE


     RNA sequences                        Experimentally solved RNA structures



                                              Predictions         Rankings
                                            Reference RNA secondary structures
        RNA 2D METHODS

                                                                   WWW
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                                       http://comparna.amu.edu.pl/
    The CompaRNA server                                           http://iimcb.genesilico.pl/comparna/

                                 New RNAs
                                                                                  CompaRNA
                                                                                  ENGINE


     RNA sequences                              Experimentally solved RNA structures

                                                                           RNAVIEW *
                                                    Predictions         Rankings
                                                  Reference RNA secondary structures
        RNA 2D METHODS

                                                                              WWW
  * Yang H, Jossinet F, Leontis N, Chen L, Westbrook J, Berman H, Westhof E. (2003):
   Tools for the automatic identification and classification of RNA base pairs. Nucleic Acids Res. 31(13):3450-60.
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/




    CompaRNA has automatically extracted 212 RNA structures
    (785 RNA chains) since February, 28 2009 from the weekly
    updates of the Protein Data Bank.
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/




    CompaRNA has automatically extracted 212 RNA structures
    (785 RNA chains) since February, 28 2009 from the weekly
    updates of the Protein Data Bank.

    357 RNA chains extracted by CompaRNA were bound to
    protein chains (428 RNA chains were unbound).
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/




     14 methods predicting RNA secondary structure are tested,
     including:
     -  Mfold
     -  Sfold
     -  Contrafold
     -  HotKnots, PknotsRG (can predict pseudoknots)
     -  McQFold
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/




     8005 secondary structure predictions have been obtained
     for 785 RNA chains solved experimentally.
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/




     8005 secondary structure predictions have been obtained
     for 785 RNA chains solved experimentally.


     14 methods * 785 seqs of RNA chains = 10990
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/




     8005 secondary structure predictions have been obtained
     for 785 RNA chains solved experimentally.


     14 methods * 785 seqs of RNA chains = 10990 != 8005
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/




     8005 secondary structure predictions have been obtained
     for 785 RNA chains solved experimentally.


     14 methods * 785 seqs of RNA chains = 10990 != 8005


     The reason for this is that various methods predicting
     RNA secondary structure have different length limits of
     input RNA sequences
     (e.g. McQFold: 500nt, Sfold: 6000nt).
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/



        How to compare reference and predicted RNA secondary
        structures in order to benchmark performance of
        individual methods?
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                                             http://comparna.amu.edu.pl/
    The CompaRNA server                                  http://iimcb.genesilico.pl/comparna/



        How to compare reference and predicted RNA secondary
        structures in order to benchmark performance of
        individual methods?


                          Matthews correlation coefficient
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    Outline of the presentation:

    1)  What is CompaRNA?

    2)  CompaRNA features

    3)  Future perspectives

    4)  Acknowledgements
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    CompaRNA features




                                        DEMO
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    Outline of the presentation:

    1)  What is CompaRNA?

    2)  CompaRNA features

    3)  Future perspectives

    4)  Acknowledgements
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    What do I want to do next?


     -  test methods predicting protein-RNA interactions

     -  create meta-methods predicting RNA secondary
        structure & protein-RNA interactions based on individual
        methods

     - defend my PhD thesis
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




    Outline of the presentation:

    1)  Introduction to the prediction of RNA structure
        and protein–RNA interactions

    2)  The CompaRNA server – present & past

    3)  Future perspectives

    4)  Acknowledgements
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods



       Acknowledgements




                    Janusz                  Kristian                Łukasz




          Ewa               Kasia             Kaja              Jurek            Tomek
CompaRNA: a server for continuous benchmarking of RNA structure prediction methods




                                 Thx for your attention

                                         Questions !

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CompaRNA

  • 1. bioinformatics.amu.edu.pl CompaRNA: a server for continuous benchmarking of automated methods for RNA structure prediction Tomasz Puton, M.Sc. Bioinformatics Laboratory Institute of Molecular Biology and Biotechnology Faculty of Biology Adam Mickiewicz University
  • 2. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods Outline of the presentation: 1)  What is CompaRNA? 2)  CompaRNA features 3)  Future perspectives 4)  Acknowledgements
  • 3. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods Outline of the presentation: 1)  What is CompaRNA? 2)  CompaRNA features 3)  Future perspectives 4)  Acknowledgements
  • 4. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods The CompaRNA server A continuous benchmark of automated standalone and web server methods for RNA secondary structure prediction.
  • 5. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods The CompaRNA server A continuous benchmark of automated standalone and web server methods for RNA secondary structure prediction. Equivalent of Livebench (http://meta.bioinfo.pl/livebench.pl) in the field of RNA structure predition.
  • 6. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods The CompaRNA server A continuous benchmark of automated standalone and web server methods for RNA secondary structure prediction. Equivalent of Livebench (http://meta.bioinfo.pl/livebench.pl) in the field of RNA structure predition. The aim of CompaRNA is to assess the state of the art in the field, provide a detailed picture of what is possible with the available tools, where the progress is made and what major problems remain.
  • 7. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/
  • 8. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ New RNAs CompaRNA ENGINE Experimentally solved RNA structures
  • 9. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ New RNAs CompaRNA ENGINE RNA sequences Experimentally solved RNA structures
  • 10. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ New RNAs CompaRNA ENGINE RNA sequences Experimentally solved RNA structures RNA 2D METHODS
  • 11. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ New RNAs CompaRNA ENGINE RNA sequences Experimentally solved RNA structures Predictions RNA 2D METHODS
  • 12. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ New RNAs CompaRNA ENGINE RNA sequences Experimentally solved RNA structures Predictions Rankings RNA 2D METHODS
  • 13. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ New RNAs CompaRNA ENGINE RNA sequences Experimentally solved RNA structures Predictions Rankings RNA 2D METHODS WWW
  • 14. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ New RNAs CompaRNA ENGINE RNA sequences Experimentally solved RNA structures Predictions Rankings RNA 2D METHODS WWW
  • 15. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ New RNAs CompaRNA ENGINE RNA sequences Experimentally solved RNA structures Predictions Rankings Reference RNA secondary structures RNA 2D METHODS WWW
  • 16. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ New RNAs CompaRNA ENGINE RNA sequences Experimentally solved RNA structures RNAVIEW * Predictions Rankings Reference RNA secondary structures RNA 2D METHODS WWW * Yang H, Jossinet F, Leontis N, Chen L, Westbrook J, Berman H, Westhof E. (2003): Tools for the automatic identification and classification of RNA base pairs. Nucleic Acids Res. 31(13):3450-60.
  • 17. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ CompaRNA has automatically extracted 212 RNA structures (785 RNA chains) since February, 28 2009 from the weekly updates of the Protein Data Bank.
  • 18. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ CompaRNA has automatically extracted 212 RNA structures (785 RNA chains) since February, 28 2009 from the weekly updates of the Protein Data Bank. 357 RNA chains extracted by CompaRNA were bound to protein chains (428 RNA chains were unbound).
  • 19. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ 14 methods predicting RNA secondary structure are tested, including: -  Mfold -  Sfold -  Contrafold -  HotKnots, PknotsRG (can predict pseudoknots) -  McQFold
  • 20. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ 8005 secondary structure predictions have been obtained for 785 RNA chains solved experimentally.
  • 21. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ 8005 secondary structure predictions have been obtained for 785 RNA chains solved experimentally. 14 methods * 785 seqs of RNA chains = 10990
  • 22. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ 8005 secondary structure predictions have been obtained for 785 RNA chains solved experimentally. 14 methods * 785 seqs of RNA chains = 10990 != 8005
  • 23. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ 8005 secondary structure predictions have been obtained for 785 RNA chains solved experimentally. 14 methods * 785 seqs of RNA chains = 10990 != 8005 The reason for this is that various methods predicting RNA secondary structure have different length limits of input RNA sequences (e.g. McQFold: 500nt, Sfold: 6000nt).
  • 24. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ How to compare reference and predicted RNA secondary structures in order to benchmark performance of individual methods?
  • 25. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods http://comparna.amu.edu.pl/ The CompaRNA server http://iimcb.genesilico.pl/comparna/ How to compare reference and predicted RNA secondary structures in order to benchmark performance of individual methods? Matthews correlation coefficient
  • 26. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods Outline of the presentation: 1)  What is CompaRNA? 2)  CompaRNA features 3)  Future perspectives 4)  Acknowledgements
  • 27. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods CompaRNA features DEMO
  • 28. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods Outline of the presentation: 1)  What is CompaRNA? 2)  CompaRNA features 3)  Future perspectives 4)  Acknowledgements
  • 29. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods What do I want to do next? -  test methods predicting protein-RNA interactions -  create meta-methods predicting RNA secondary structure & protein-RNA interactions based on individual methods - defend my PhD thesis
  • 30. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods Outline of the presentation: 1)  Introduction to the prediction of RNA structure and protein–RNA interactions 2)  The CompaRNA server – present & past 3)  Future perspectives 4)  Acknowledgements
  • 31. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods Acknowledgements Janusz Kristian Łukasz Ewa Kasia Kaja Jurek Tomek
  • 32. CompaRNA: a server for continuous benchmarking of RNA structure prediction methods Thx for your attention Questions !