Table 2.

Reactivity Scores Correlated More Closely with Trapping Agent Depletion than QSAR Models^a

peptide	QSAR reactivity model	MRS
GSH	0.30 (p-value = 0.0709)	0.43 (p-value = 0.0064)
cysteine	0.38 (p-value = 0.0210)	0.56 (p-value = 0.0003)
lysine	0.26 (p-value = 0.1310)	0.41 (p-value = 0.0126)
histidine	0.14 (p-value = 0.4295)	0.24 (p-value = 0.1504)

^aThe correlations between peptide reactivity and QSAR predictions (eq 2) are molecule reactivity scores (MRS) were calculated for 38 structurally diverse contact allergens.²³ Reactivity was measured by peptide depletion assays, with incubation times of 15 min for GSH or 24 h for peptides containing cysteine, lysine, or histidine. Across the results of all four assays, reactivity was more significantly correlated with MRS than by the QSAR model. Statistically significant correlations are in bold.