Report 5 - GeorgeIniatis/Blood_Brain_Barrier_Drug_Prediction GitHub Wiki

  • PubMed API searches
    • PubMed searches produced 16, manually verified, compounds and drugs (15 BBB-, 1 BBB+) from 35 matches
    • PubMed Central produce 70, manually verified, compounds and drugs (70 BBB-) from 360 matches
  • Tried to use the Elsevier API but couldn't make it work
  • The DOI of each academic paper was provided as source for compounds and drugs. When it wasn't available either a link to PubMed or PubMed Central was provided as the source
  • Dataset after removing duplicates and unknown compound is currently at 2321 compounds and drugs
    • 1755 BBB+
    • 566 BBB-
    • 334 entries having side effects and indications
  • Did not have a chance to look at any ML tutorials
  • Questions/Topics to discuss
    • Might give Springer API a try
    • Would be nice to find a relationship extraction library instead of manually going through matches