MAOB_4828 / README.md
cafierom's picture
Create README.md
f00e6d2 verified

HMGCR_4828 This dataset consists of ~5K MAOB inhibitors downloaded from ChEMBL. Each molecule with a Na counterion has been duplicated without the counterion. Molecules have been classified accordin to IC50 values into 3 classes: < 50 nM, <500 nM, > 500 nM.