Computational Chemistry
Leave-one-out cross-validation (LOOCV) is a model validation technique where a single observation is left out of the training set for each iteration while the model is trained on the remaining data. This process is repeated for each data point in the dataset, making it a form of k-fold cross-validation where k equals the total number of observations. LOOCV is especially useful in assessing how a predictive model will generalize to an independent dataset.
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