Replace "yoursmilesstring" with a valid SMILES string

jonlandrum commented 4 years ago

Synopsis The example SMILE string in the file README.md on line 45 is not a valid SMILE string, and results in an error when running the program. A better approach would be to have a valid SMILE string of a common drug to use as an example.

Acceptance Criteria

Find a drug that is not in the training set and which the model can accurately predict; PubChem is a good resource for this
Replace the invalid SMILE string in the file README.md on line 45 with the SMILE string of the chosen drug

saltshaiker commented 3 years ago

@ikmckenz Can I pick this up please?

ikmckenz commented 3 years ago

It's yours @d3fau7t

ikmckenz / target-pred-py

Replace "yoursmilesstring" with a valid SMILES string #22