Figure 2

Scatter plot target vs. predicted values. Prediction results for dataset A with the ν-SVR indicate that peak intensity prediction is feasible. Left: Cross-validation on dataset A. Right: Prediction using a model parameter-tuned on dataset B. r denotes the Pearson's correlation between target and predicted values. Plots for dataset B and the other feature sets are shown in additional files. A summary of all additional files showing scatter plots is presented in Table 4.