. 2021 Jul 2;61(7):3314–3322. doi: 10.1021/acs.jcim.1c00168

Table 1. Comparative Performance on Cross-Validation between the pdCSM-cancer Classification Model and Another Available Approach, CDRUG^a.

method	MCC	sensitivity	FPR	accuracy	AUC
pdCSM-cancer (updated NCI-60 data)	0.72	0.84	0.13	0.86	0.94
pdCSM-cancer (CDRUG data)	0.70	0.85	0.15	0.86	0.90
CDRUG¹⁰	*	0.81	0.20	*	0.87

Asterisk: MCC and accuracy predictive scores were not reported by CDRUG, neither the prediction matrix (i.e., predicted and actual values for each molecule).

Table 1. Comparative Performance on Cross-Validation between the pdCSM-cancer Classification Model and Another Available Approach, CDRUGa.

Table 1. Comparative Performance on Cross-Validation between the pdCSM-cancer Classification Model and Another Available Approach, CDRUG^a.