gbyuvd commited on
Commit
9e8a1b3
1 Parent(s): 8ee5602

Update README.md

Browse files
Files changed (1) hide show
  1. README.md +1 -1
README.md CHANGED
@@ -534,7 +534,7 @@ then query similars based on the average embeddings (returned in 3.5s):
534
  (WIP)
535
 
536
  ## Validation by Docking-based Virtual Screening
537
- Validation by Docking-based Virtual Screening (DBVS) is finished, showing promising hit rates — ranging from 26% to 58% within the top 100 hits using averaged embeddings of nAChR α4β2 partial agonists, depending on the threshold applied.
538
  However, some of the methods used are adapted from my undergraduate thesis, which is still in progress and pending publication.
539
  Detailed results and methodologies will be fully disclosed after the thesis is published.
540
 
 
534
  (WIP)
535
 
536
  ## Validation by Docking-based Virtual Screening
537
+ Validation by Docking-based Virtual Screening (DBVS) is finished, showing promising hit rates — ranging from 26% to 58% within the top 100 similar compounds from SuperNatural3 using the averaged embeddings of nAChR α4β2 partial agonists, depending on the threshold applied.
538
  However, some of the methods used are adapted from my undergraduate thesis, which is still in progress and pending publication.
539
  Detailed results and methodologies will be fully disclosed after the thesis is published.
540