DEMOVA-package | DEvelopment of (multi-linear QSPR/QSAR) MOdels VAlidated... |
fitting | Performance of selected model |
graphe_3Sets | Predictions for the external validation set and graph |
LMO | Leave Many Out |
LOO | Leave One Out |
prediction | Predictions for the test set and graph |
preselection | Suppression of missing or constant descriptors |
scramb | scrambling |
select_MLR | Development of the model (multi linear regression) |
select_variables | Selection of descriptors |
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