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1 Parent(s): 10e659b

Fix feature count accuracy

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  1. README.md +3 -2
README.md CHANGED
@@ -39,7 +39,7 @@ A production-ready **Self-Normalizing Neural Network (SNN) ensemble** for predic
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  | **Training** | 300 epochs, 40-fold CV |
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  | **CV AUC** | 0.882 ± 0.021 |
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- ## Molecular Features (11,369 total)
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  | Feature Type | Dimensions | Description |
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  |--------------|------------|-------------|
@@ -47,7 +47,8 @@ A production-ready **Self-Normalizing Neural Network (SNN) ensemble** for predic
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  | **MACCS Keys** | 167 | Structural keys for substructure screening |
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  | **RDKit Descriptors** | 208 | Physicochemical properties (LogP, TPSA, MW, etc.) |
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  | **Toxicophores** | 1,868 | SMARTS-based toxicity structural alerts |
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- | **Target Similarity** | 934 | Tanimoto similarity to known receptor ligands |
 
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  ## Training Details
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  | **Training** | 300 epochs, 40-fold CV |
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  | **CV AUC** | 0.882 ± 0.021 |
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+ ## Molecular Features (11,377 total)
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  | Feature Type | Dimensions | Description |
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  |--------------|------------|-------------|
 
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  | **MACCS Keys** | 167 | Structural keys for substructure screening |
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  | **RDKit Descriptors** | 208 | Physicochemical properties (LogP, TPSA, MW, etc.) |
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  | **Toxicophores** | 1,868 | SMARTS-based toxicity structural alerts |
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+ | **Structural Filters** | 815 | PAINS, BRENK, NIH, ZINC filter alerts |
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+ | **Target Similarity** | 127 | Tanimoto similarity to known receptor ligands |
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  ## Training Details
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