. 2022 Dec 23;23(2):842–852. doi: 10.1021/acs.cgd.2c01072

Table 3. AUC Calculated for the Different Computational Cocrystal Screening tools^a.

computational approach	ranking variable	AUC (I)	AUC (II)
COSMOquick	F_screen	0.72	0.42
COSMOquick	ΔH_mix	0.71	0.37
HBP	multicomponent score	0.56	0.63
MC	complementarity score	0.80	0.79

AUC (I) is the AUC computed for posaconazole cocrystal screening on the 28 coformers; AUC (II) is computed for posaconazole cocrystal screening on the 20 acidic coformers.

Table 3. AUC Calculated for the Different Computational Cocrystal Screening toolsa.

Table 3. AUC Calculated for the Different Computational Cocrystal Screening tools^a.