Fig. 4
From: Improving VAE based molecular representations for compound property prediction
Means and variances over 5 VAEs trained with and without predictor are presented in the form of Bell curve. The gray points represent the R2 value of a single fold, while the red points show the mean of the scores of 10 folds. The mean and variance of the Bell curve is calculated based on the values of red points. Curves on (a) and b graphs represent logS and logD prediction tasks, respectively