A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood

Table 1 Summary of AD score across all three models studied

Lower AD scores (shown in italic) indicate a better scenario, translating into higher similarity to an ideal AD curve (smooth and decreasing trend of accuracy as a function of the AD span), and it also translates into a closely matching pair of two external set curves (which translates into the level of robustness)

ISSN: 1758-2946