Hi everyone,
Here is a suggestion/question for people developing DeepChem:
Should FDA’s Mold2 featurizer be added to DeepChem?
I know DeepChem already has a ton of featurizers, but I think Mold2 is quite relevant since FDA is using it for their Safety AI initiative:
- Mold2 was found to be superior to MACCS and Mol2Vec in their DeepDILI model (predicts Drug Induced Liver Injury).
- They also use it for their model predicting Ames, DeepAmes
A Mold2 Python wrapper is also available.
Cheers!