The acronym PASS stands for Prediction of Activity Spectra for Substances. Using structural formula of a drug-like substance as an input, one obtains its estimated biological activity profile as an output. The predicted biological activity list includes the names of the probable activities with two probabilities: Pa – likelihood of belonging to the class of “Actives”
and Pi – likelihood of belonging to the class of “Inactives”. By default, all activities with Pa>Pi are considered as probable; however, depending on the particular tasks, the user may choose any other cutoff for selecting the probable “Actives”. PASS has been well accepted by the research community, and is now actively used in the field of medicinal chemistry, by both academic organizations and pharma companies. There are over 1,200 publications described PASS approach and its applications. Overview on some papers is provided
Application areas
  • Computational Chemistry
  • Medicinal Chemistry
  • Drug Research and Development
  • Drug Repositioning
  • Translational Research/Translational Medicine
  • SAR (Structure-Activity Relationships) Analysis
  • Chemogenomics, Proteochemometrics
  • Multitargeted Pharmaceutical Agents
  • Natural Compounds’ Hidden Potential
  • Drug Safety Assessment