Network Annotation Propagation on GNPS !!!

[Louis-Félix Nothias]

The network annotation propagation (NAP) paper was recently published. Congratz to Ricardo !

http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1006089

In brief, NAP uses molecular networking to improve the accuracy of in silico predictions through propagation of structural annotations, even when there is no match to a MS/MS spectrum in spectral libraries. This is accomplished through creating a network consensus of re-ranked structural candidates using the molecular network topology and structural similarity to improve in silico annotations.

The Network Annotation Workflow is accessible through the GNPS web-platform [you have to be logged in GNPS first] https://gnps.ucsd.edu/ProteoSAFe/static/gnps-theoretical.jsp

The documentation is here: http://github.com/DorresteinLaboratory/NAP_ProteoSAFe/raw/master/supplementar_tool_manual_documentation.pdf

The GitHub repository is available here: http://github.com/DorresteinLaboratory/NAP_ProteoSAFe/tree/master

[Ricardo M Borges]

Hello,

I'm having problems setting up the RDKit into Jupyter Notebook to create a custom database. Can you give me some tips?

Thanks

Ricardo

[Ramsay Kamdem]

Congrats