Update app.py

app.py

@@ -163,50 +163,10 @@ def get_drug_features_from_dataset(drug1, drug2, df):
             return drug_data.iloc[0]  # Returns the first match
         else:
             print(f"Drugs '{drug1}' and '{drug2}' not found in the dataset.")
-            # Debug print to help identify any potential matches
-            for col in drug_columns:
-                if col in df.columns:
-                    if col.endswith('1') or col.endswith('_1') or col.endswith(' 1'):
-                        matching_rows = df[df[col].astype(str).str.lower().str.strip() == drug1]
-                        if not matching_rows.empty:
-                            print(f"Found '{drug1}' in column '{col}' in {len(matching_rows)} rows")
-                    if col.endswith('2') or col.endswith('_2') or col.endswith(' 2'):
-                        matching_rows = df[df[col].astype(str).str.lower().str.strip() == drug2]
-                        if not matching_rows.empty:
-                            print(f"Found '{drug2}' in column '{col}' in {len(matching_rows)} rows")
             return None
             
     except Exception as e:
         print(f"Error searching for drugs in dataset: {e}")
-        # Print column names to help debug
-        print(f"Available columns: {df.columns.tolist()}")
-        return None
-
-# Function to fetch drug features from PubChem API
-def get_drug_features_from_api(drug_name):
-    drug_name = clean_drug_name(drug_name)
-    print(f"Fetching data for '{drug_name}' from PubChem API...")
-    
-    try:
-        api_url = f'https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{drug_name}/property/SMILES,MolecularFormula,MolecularWeight/JSON'
-        response = requests.get(api_url, timeout=10)
-        
-        if response.status_code == 200:
-            data = response.json()
-            if 'PropertyTable' in data and 'Properties' in data['PropertyTable'] and len(data['PropertyTable']['Properties']) > 0:
-                properties = data['PropertyTable']['Properties'][0]
-                return {
-                    'SMILES': properties.get('SMILES', 'No data'),
-                    'MolecularFormula': properties.get('MolecularFormula', 'No data'),
-                    'MolecularWeight': properties.get('MolecularWeight', 'No data'),
-                    'pharmacodynamics': 'Data from API - limited information', 
-                    'toxicity': 'Data from API - limited information'
-                }
-        
-        print(f"Could not fetch data for '{drug_name}' from PubChem (Status: {response.status_code})")
-        return None
-    except Exception as e:
-        print(f"API Error for '{drug_name}': {e}")
         return None
 
 # Function to predict the severity based on the drugs' data
@@ -378,4 +338,4 @@ interface = gr.Interface(
 
 # Launch the interface
 if __name__ == "__main__":
-    interface.launch(debug=True)
+    interface.launch(debug=True)