scoring:
  weights:
    adsorption: 0.4
    safety: 0.3
    toxicity: 0.3
  adsorption_normalization:
    benzene_ref_mg_g: 1000.0
  safety_scores:
    white: 10.0
    grey: 7.0
    black: 0.0
    unknown: 5.0
  recommendation:
    recommend_threshold: 7.0
    borderline_threshold: 5.0

pmt_criteria:
  logP_max: 4.5
  mw_max: 700.0
  hbd_max: 5
  hba_max: 10