Table 3. Overview of the Datasets Used for MMPA in This Study: Number of Derived Matched Pairs and Number of Significant Molecular Transformations Remaining after Performing Paired t tests and Secondary Filtering from Each Dataset.
| dataset | total compounds | total pairs | unique transforms | significant transforms |
|---|---|---|---|---|
| GN-activity-1 | 1887 | 4922 | 4162 | 0 |
| ENM_1 | 2.1M | 240k | 164k | 499 |
| ENM_2 | 460k | 360k | 271k | 1057 |
| ENM_3 | 43k | 1M | 735k | 1149 |
| total | 2.6M | 1.6M | 1.1M | 2705 |