Hit evaluation phase

Classification of compounds into three classes is often suitable for many applications, for example, the prioritization of compounds for experimental testing in a hit evaluation phase, the removal of potential metabolically unstable from planned chemical libraries, and so on. The classification performance of the final model is illustrated by a confusion matrix (Table 11.2). Overall, 66% are classified correctly into the given three classes, while the reliability for the metabolically labile compounds is slightly better (80%) than for the stable compounds (73%). Only 10% of the compounds are mispredicted over two classes. 

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