Report 6 - GeorgeIniatis/Blood_Brain_Barrier_Drug_Prediction GitHub Wiki

  • Springer API searches
    • Meta V2 (Only abstracts) searches produced 42, manually verified, compounds and drugs (41 BBB-, 1 BBB+) from 108 matches
    • Open access searches produced 109, manually verified, compounds and drugs (106 BBB-, 3 BBB+) from 491 matches
  • Fixed the multiple SMILES bug and repopulated dataset
  • Dataset after removing duplicates and unknown compound is currently at 2417 compounds and drugs
    • 1753 BBB+
    • 664 BBB-
    • 350 entries having side effects and indications
  • Looked at SK-Learn tutorials