Table 2.

Description of the sources upon which the training set was built. In number of compounds, “+” denotes the number of DILI-positive compounds and “−” the number of negative compounds. These numbers correspond to the number of compounds remaining after data curation in a source by source basis.

Source name	Type of data	Number of compounds	Label choice
O’Brien et al. (2006)	In vitro cell-based assay	132 (100+/32−)	“severely” and “moderately” toxic are considered positives.
Rodgers et al. (2010)	FDA reports database	382 (75+/307−)	Authors classification
Fourches et al. (2010)	Text mining	902 (620+/282−)	Authors classification
Greene et al. (2010)	Compilation of published data	385 (252+/133−)	Authors classification
Ekins et al. (2010)	Clinical data for hepatotoxicity	499 (294+/205−)	Authors classification
Chen et al. (2011)	FDA-approved labels	279 (218+/61−)	“most DILI concern” and “less DILI concern” are considered positives
Liu et al. (2011)	SIDER_2 database	835 (188+/647−)	Authors classification
Zhu and Kruhlak (2014)	Post-marketing safety data	1948 (651+/1297−)	Authors classification, keeping only highest class certainty
Liu et al. (2015b)	LiverTox database	583 (409+/174−)	“hepatotoxic” and “possible hepatotoxic” are considered positives