Table 1 Number of compounds in our dataset
From: kGCN: a graph-based deep learning framework for chemical structures
Assay type | \(\#\)Compounds |
|---|---|
MMP-3 | 2095 |
MMP-9 | 2829 |
MMP-12 | 533 |
MMP-13 | 2607 |
From: kGCN: a graph-based deep learning framework for chemical structures
Assay type | \(\#\)Compounds |
|---|---|
MMP-3 | 2095 |
MMP-9 | 2829 |
MMP-12 | 533 |
MMP-13 | 2607 |