haneulpark commited on
Commit
b443af4
·
verified ·
1 Parent(s): 23f6ea7

Update README.md

Browse files
Files changed (1) hide show
  1. README.md +4 -4
README.md CHANGED
@@ -19,9 +19,9 @@ Standardize and validate 'CanonicalSMILES' column. Apply sanitization, standardi
19
 
20
  ### st5_detergent_smiles_curation.py
21
  Special handling for AIDs 584, 585, 1476, 1478, 485294, 485341.
22
- Instead of a simple activity filter, these datasets are processed to remove overlapping compounds based on detergent-related assay pairs:
23
 
24
- 585 → remove compounds also active in 584
25
- 1478 → remove compounds also active in 1476
26
- 485341 → remove compounds also active in 485294
27
  This ensures non-specific binders (likely aggregators) are excluded.
 
19
 
20
  ### st5_detergent_smiles_curation.py
21
  Special handling for AIDs 584, 585, 1476, 1478, 485294, 485341.
22
+ Instead of a simple activity filter, these datasets are processed to remove overlapping compounds based on detergent-related assay pairs.
23
 
24
+ - 585 → remove compounds also active in 584
25
+ - 1478 → remove compounds also active in 1476
26
+ - 485341 → remove compounds also active in 485294
27
  This ensures non-specific binders (likely aggregators) are excluded.