Article Figures & Data
Additional Files
Data Supplement
Files in this Data Supplement:
- Supplemental Data -
Supplementary Table 1 - These two tables contain the names of the drugs in the MRP4 dataset and BSEP dataset, PubChem ID or CHEMBL ID if available, the inhibition data, and the compound's classification for the model
Supplemental Figure 1 - The BSEP pharmacophore and the assay substrate aligned to the BSEP pharmacophore
Supplemental Figure 2 - Favorable and unfavorable molecular features for interactions with MRP4 and BSEP
- Supplemental Data -