Update README.md

README.md

@@ -30,7 +30,10 @@ configs:
   - split: train
     path: CHAFF/train-*
 ---
-# 
+# Dataset description
+
+
+
 ### List of PubChem AIDs included:
 632, 1641, 1730, 1857, 1926, 435026, 504689, 720541, 1159604,
 587, 588, 589, 590, 591, 592, 593, 594, 709, 923, 1480, 1483, 1696, 1775, 1776, 2124, 2757,
@@ -60,10 +63,10 @@ Parse each dataset and filters rows labeled as "Active".
 Standardize and validate 'CanonicalSMILES' column. Apply sanitization, standardization, and fragment removal using RDKit and MolVS.
 
 ### st5_detergent_smiles_curation.py
-Special handling for AIDs 584, 585, 1476, 1478, 485294, 485341.
-Instead of a simple activity filter, these datasets are processed to remove overlapping compounds based on detergent-related assay pairs.
+Special handling for AIDs 585, 584, 1476, 1478, 485341, 485294
+These datasets are processed to remove overlapping compounds based on detergent-related assay pairs. (Without detergent - With detergent)
 This ensures non-specific binders (likely aggregators) are excluded.
 
-- 585 → remove compounds also active in 584
-- 1478 → remove compounds also active in 1476
-- 485341 → remove compounds also active in 485294
+- AID 585 → remove compounds also active in AID 584
+- AID 1476 → remove compounds also active in AID 1478
+- AID 485341 → remove compounds also active in AID 485294