R code for estimating the weights of the four energy terms
by the regression scoring method
  1. Upload the dataset
The provided code uploads the ace dataset.
The dataset must be saved as a csv format.
  1. Run the code
MResultOut (proportion)

for example, ``proportion=0.1" denotes selecting top 0.1 proportion targets
MResultOut(0.1) presents the results for selecting top 0.1 proportion targets

MaxWeight: the estimated weights for the four energy terms
table : The results of the new method by adopting the estimated weights and
           the old method by adopting the equal weights