ChEMBL Resources

Resources:
ChEMBL
|
SureChEMBL
|
ChEMBL-NTD
|
ChEMBL-Malaria
|
The SARfaris: GPCR, Kinase, ADME
|
UniChem
|
DrugEBIlity
|
ECBD

Friday, 11 April 2014

Target Prediction IPython Notebook Tutorial


As promised in the previous post, the ChEMBL target prediction models are now available to download from here. Furthermore, here is an IPython Notebook that showcases how the models can be used in Python. As usual, your feedback is very welcome. 

George

3 comments:

Chris said...

Many thanks

Chris

Iain said...

Really useful, thanks

Chris said...

These models require scikit-learn==0.14.1

I now have them running in a virtual environment, any plans to update them?