bio2bel/bio2bel-notebooks

Notebooks demonstrating the usage of Bio2BEL packages

bio2bel-notebooks's Issues

Combine all ChEMBL Resources in a super-graph

Let's look at what resources we have so far:

1. HGNC to UniProt mapping
2. UniProt to ChEMBL Proteins mapping
3. ChEMBL Chemicals to InCHI
4. ChEMBL chemical inhibition of proteins

Let's make a Jupyter notebook where we:

1. Load each of those resources (either from the BEL file or a gpickle)
2. Combine to a single graph
3. Collapse all proteins to HGNC and all abundances to InCHI

Finally, it would be interesting to zoom in on molecules inhibiting certain proteins. Extract the subgraphs around:

• CACNA1C
• KANSL1
• RNF5
• NFKBIL1
• PPT1
• JAKMIP1

and display them using pybel-tools