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. 2022 Mar 25;1(3):266–276. doi: 10.1039/d2dd00004k

Fig. 2. (A) Example of a small 2D database with 12 points split among four families, indicated by their color. (B) Representation of the LOO-extrapolation to predict the values of ‘Family 1’, where the algorithm is trained with a LOO cross-validation. (C) Representation of our proposed LOGO-extrapolation to predict the values of ‘Family 1’, where the algorithm is trained to extrapolate to other families and is finally tested to extrapolate the values of that new family.

Fig. 2