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Chapter 21

Evaluation of Knowledge-based Systems

The evaluation of computer models driven by chemical substructures is problematic. The OECD has published guidelines intended to ensure that models can at least be reconstructed and their predictions repeated at different sites. Cooper statistics, the usual metrics for comparing the performance of different prediction models are described, They are designed for binary predictions and so there are problems using them for numerical or categorical predictions. An alternative metric, veracity, is described.

Publication details

Print publication date
15 Feb 2019
Copyright year
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