Methods {validation methods} can check structure-activity relationship correlations, predictions, and designs.
Validation methods {bootstrapping validation method} can use only internal data.
Methods {cross-validated correlation coefficient} can validate and predict data.
For all data subsets, algorithms {cross-validation} (CV) can remove one data subset and calculate remainder.
Other data can pair with model to predict activity {external validation}.
Validation methods {Fisher F-test} can use F test.
Validation methods {fitness function} (FIT) can measure fit.
cross-validation method {jackknife validation method, drug}.
Methods {lack-of-fit} (LOF) can measure fit.
cross-validation method {leave-groups-out, drug} (LGO).
cross-validation method {leave-one-out, drug} (LOO).
Methods {predictive residual sum of squares, drug} (PRESS) can measure fit.
cross-validation method {scrambling dependent Y-values, drug}.
Methods {standard deviation method, drug} (sPRESS) can measure fit.
Methods {standard error of predictions, drug} (SDEP) can measure fit.
Methods {standard error of regression, drug} can measure fit.
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Date Modified: 2022.0225