Prediction of GPCR-Ligand Binding Using Machine Learning Algorithms

Algorithm 1

Algorithm for generating negative samples.

For each GPCR X from positive samples,

  Step  1. Randomly select GPCR Y from one of the positive samples;

  Step  2. If and have common binding ligand(s), go to Step  1.

     Otherwise, randomly select one ligand among ligands that bind to ,

     and make a negative sample with “-”

  Step  3. If negative samples already have “X-Z”, go to Step  1.