content: # Test the Pharm2D fingerprint scoring component
  
  run_type = "scoring"
  output_csv = "pharm2dfp.csv"
  json_out_config = "_pharm2dfp.json"
  
  [parameters]
  
  smiles_file = "tests/chembl_random_10.smi"
  
  
  [scoring]
  
  type = "geometric_mean"
  parallel = false
  
  [[scoring.component]]
  [scoring.component.Pharm2DFP]
  
  [[scoring.component.Pharm2DFP.endpoint]]
  name = "Pharm2DFP/Tanimoto"
  
  params.ref_smiles = "CC(=O)OC1=CC=CC=C1C(=O)O"  # Aspirin
  params.feature_definition = "base"
  params.bins = [0, 2, 2, 4, 4, 8]  # means [(0,2), (2,4), (4,8)]
  params.min_point_count = 2
  params.max_point_count = 3
  params.similarity = "tanimoto"
  params.similarity_params = {}
  
  [[scoring.component.Pharm2DFP.endpoint]]
  name = "Pharm2DFP/Dice"
  
  params.ref_smiles = "CC(=O)OC1=CC=CC=C1C(=O)O"  # Aspirin
  params.feature_definition = "base"
  params.bins = [0, 2, 2, 4, 4, 8]  # means [(0,2), (2,4), (4,8)]
  params.min_point_count = 2
  params.max_point_count = 3
  params.similarity = "dice"
  params.similarity_params = {}
  
  [[scoring.component.Pharm2DFP.endpoint]]
  name = "Pharm2DFP/Tversky"
  
  params.ref_smiles = "CC(=O)OC1=CC=CC=C1C(=O)O"  # Aspirin
  params.feature_definition = "base"
  params.bins = [0, 2, 2, 4, 4, 8]  # means [(0,2), (2,4), (4,8)]
  params.min_point_count = 2
  params.max_point_count = 3
  params.similarity = "tversky"
  params.similarity_params = {a = 0.95, b = 0.05}
  