hERG data

[patrickhop]

Would be really nice to have some binding data added to moleculenet. I think the following hERG dataset would be a good start. For those that don't know, hERG is a commonly tested anti-target that mediates electrical activity in the heart. I'll try to add this soon, if there are no objections.

https://www.ebi.ac.uk/chembl/assay/inspect/CHEMBL3301460

[rbharath]

PR welcome!

[patrickhop]

someone bother me if i don't do this by the end of the week

[zealseeker]

I am working on collection of toxicity data and keep attention to this endpoint.
ChEMBL is not enough I think.
These two papers may be useful.
doi: 10.1021/mp300023x
doi: 10.1039/C5TX00294J

[lilleswing]

ping @patrickhop

[lilleswing]

ping @zealseeker @patrickhop

[lilleswing]

p.s. I just collected some data for hERG by cleaning up Chembl. I'm going to attempt to get approval to open source it.

~ 4500 points

[rbharath]

Closing this old issue in favor of deepchem/moleculenet#2