Update README.md

README.md

@@ -26,16 +26,198 @@ citation: >-
   }
 config_names:
 - Boldini2024
-dataset_info:
-  config_name: Boldini2024
+configs:
+- config_name: Boldini2024
   data_files:
     - GPCR_sanitized.csv
     - GPCR2_sanitized.csv
     - GPCR3_sanitized.csv
-
-  
-
-
+    - channel_atp_sanitized.csv
+    - cysteine_protease_sanitized.csv
+    - IonChannel_sanitized.csv
+    - IonChannel2_sanitized.csv
+    - IonChannel3_sanitized.csv
+    - kinase_sanitized.csv
+    - serine_sanitized.csv
+    - splicing_sanitized.csv
+    - transcrption_sanitized.csv
+    - transcription2_sanitized.csv
+    - transcription3_sanitized.csv
+    - transporter_sanitized.csv
+    - ubiquitin_sanitized.csv
+    - zinc_finger_sanitized.csv
+dataset_info:
+- config_name: GPCR_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: GPCR2_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: GPCR3_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: channel_atp_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64    
+- config_name: cysteine_protease_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64  
+- config_name: IonChannel_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64  
+- config_name: IonChannel2_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: IonChannel3_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: kinase_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: serine_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: splicing_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: transcription_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: transcription2_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: transcription3_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: transporter_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: ubiquitin_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64
+- config_name: zinc_finger_sanitized
+  features:
+  - name: "new SMILES"
+    dtype: string
+  - name: "Primary"
+    dtype: int64
+  - name: "Score"
+    dtype: float64
+  - name: "Confirmatory"
+    dtype: float64      
+    
 ---
 # Boldini2024 (Assay-Interfering-Compounds Finder)
 17 Datasets that are used to employ Minimum Variance Sampling Analysis (MVS-A) to find Assay Interfering Compounds (AIC) in High Throughput Screening data.