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Curated_ImmtorLig_DB_H2O_AutoML_Models

immune-receptors

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oabed commited on 13 days ago

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@@ -47,7 +47,7 @@ This project focuses on curating and modeling bioactivity data of small molecule
    - **`04.1_umap_fingerprints.py`**: Applies UMAP for dimensionality reduction and clusters molecules using fingerprints.
    - **`04.2_umap_fp_adme.py`**: Conducts UMAP on combined fingerprint and ADME data, enhancing visual analysis and clustering.
-3. **Molecule-Specific Analysis**:
    - **`05.1_il2_fingerprints_analysis.py`**: Focuses on IL-2 receptor, analyzing its molecular fingerprint interactions.
    - **`05.2_il2_fp_adme_analysis.py`**: Extends analysis by incorporating ADME properties for IL-2.

    - **`04.1_umap_fingerprints.py`**: Applies UMAP for dimensionality reduction and clusters molecules using fingerprints.
    - **`04.2_umap_fp_adme.py`**: Conducts UMAP on combined fingerprint and ADME data, enhancing visual analysis and clustering.
+3. **Target-Specific Analysis**:
    - **`05.1_il2_fingerprints_analysis.py`**: Focuses on IL-2 receptor, analyzing its molecular fingerprint interactions.
    - **`05.2_il2_fp_adme_analysis.py`**: Extends analysis by incorporating ADME properties for IL-2.