Remove screening pipeline section

README.md

@@ -61,16 +61,6 @@ size_categories:
 
 924 million small molecules screened for blood-brain barrier (BBB) permeability using the [BBB-Nuke](https://github.com/ATTN-Lab) pipeline.
 
-## Screening Pipeline
-
-Each compound was scored through:
-1. **Standardization** - SMILES canonicalization via RDKit
-2. **Physicochemical properties** - MW, LogP, TPSA, HBD, HBA, Fsp3, heavy atom count
-3. **pKa prediction** - Representative pKa via MolGpKa
-4. **CNS-MPO scoring** - Multi-parameter optimization (6 properties)
-5. **Efflux transporter prediction** - 7 efflux proteins (MDR1, ABCG2, MRP1/2/4, MATE1, OAT3)
-6. **Classifier + heuristic** - Final P_BBB probability score
-
 ## Data Sources
 
 | Source | Files | Compounds |
@@ -82,12 +72,12 @@ Each compound was scored through:
 
 ## Key Columns
 
-- `smiles_standardized` - Canonical SMILES
-- `p_bbb` - BBB permeability probability (0-1)
-- `cns_mpo_score` - CNS multi-parameter optimization score
-- `mw`, `logp`, `tpsa` - Key physicochemical descriptors
-- `pka_representative` - Predicted pKa
-- `provenance` - Data source (enamine_real, existing, pubchem)
+-  - Canonical SMILES
+-  - BBB permeability probability (0-1)
+-  - CNS multi-parameter optimization score
+- , ,  - Key physicochemical descriptors
+-  - Predicted pKa
+-  - Data source (enamine_real, existing, pubchem)
 
 ## Compute