Phase | Partitions/activity | Oral Clearance | LD50 | Cytotoxicity |
---|---|---|---|---|
Phase I | training set | 348 of 435 (80%) | 3,095 of 3,869 (80%) | 4,000 of 8,983 (44%), chosen from 70% |
 | testing set | 87 of 435 (20%) | 774 of 3,869 (20%) | 2,695 of 8,983 (30%) |
Phase II | training set | 435 of 435 (100%) | 3,869 of 3,869 (100%) | 4,500 of 8,983 (50%), includes all positive labels |