Table 4.

Median MCC scores of imputation models

		Ames	Tox21
Single task	RF	0.520 (0.517–0.523)	0.406 (0.404–0.412)
	XGB	0.540 (0.537–0.543)	0.415 (0.412–0.421)
	ST-DNN	0.500 (0.495–0.507)	0.415 (0.406–0.419)
Multi-task	XGB-FN	0.677 (0.675–0.682)	0.521 (0.516–0.525)
	MT-DNN	0.676 (0.667–0.688)	0.503 (0.493–0.512)
	Macau	0.679 (0.677–0.681)	0.385 (0.379–0.388)

Single task models are included as a benchmark. Median scores and interquartile ranges for each technique and dataset on the test set across 20 different random seeds. Before computing the median, the mean across the different assays for a single run was calculated. The best model for each dataset is in bold.