Table 4:

How often a network predicted the LLNA potency class correctly, for 141 compounds as well as how often it over or under predicted the LLNA potency class.

Over and Under Prediction of LLNA Potency class
Test Set	Correct LLNA Potency Class	Over predicted	Under predicted
Original Network	${65}_{69}^{61}\%$	${18}_{21}^{15}\%$	${17}_{20}^{15}\%$
No TIMES-SS	${49}_{52}^{45}\%$	${23}_{27}^{20}\%$	${28}_{30}^{25}\%$
Toolbox Alerts	${54}_{57}^{50}\%$	${22}_{26}^{19}\%$	${24}_{27}^{21}\%$
Toolbox Alerts with Metabolism and Autoxidation	${52}_{57}^{49}\%$	${24}_{27}^{21}\%$	${23}_{26}^{21}\%$
Toxtree Alerts	${51}_{55}^{46}\%$	${24}_{29}^{21}\%$	${24}_{28}^{21}\%$
Toxtree Alerts with Metabolism and Autoxidation	${51}_{55}^{46}\%$	${24}_{29}^{21}\%$	${25}_{28}^{21}\%$

Where Toolbox denotes the OECD QSAR Toolbox