Prediction-Inspired Intelligent Training for the Development of Classification Read-across Structure–Activity Relationship (c-RASAR) Models for Organic Skin Sensitizers: Assessment of Classification Error Rate from Novel Similarity Coefficients

. The first one is an indicator variable used to generate a simple univariate c-RASAR model with good prediction ability, while the remaining two are similarity indices used to analyze possible activity cliffs in the training and test sets and are believed to play an important role in the modelability analysis of data sets.