Update app.py

app.py

@@ -166,7 +166,17 @@ def get_drug_features_from_api(drug_name):
         features = {
             'SMILES': 'No data',
             'pharmacodynamics': 'No data',
-            'toxicity': 'No data'
+            'toxicity': 'No data',
+            'mechanism': 'No data',
+            'metabolism': 'No data',
+            'route-of-elimination':'No data',
+            'half-life':'No data'
+            
+
+![image/png](https://cdn-uploads.huggingface.co/production/uploads/67f4fd85448a1f80055e401a/DTnYklKBIzYKMJaSAYQcO.png)
+
+route': 'No data'
+            
         }
         
         # Extract SMILES if available
@@ -211,6 +221,56 @@ def get_drug_features_from_api(drug_name):
                                             if 'String' in text:
                                                 features['toxicity'] = text['String'][:500]  # Limit to 500 chars
                                                 break
+
+
+                        # Look for mechanism information
+                        if section['TOCHeading'] == 'mechanism':
+                            if 'Information' in section:
+                                for info in section['Information']:
+                                    if 'Value' in info and 'StringWithMarkup' in info['Value']:
+                                        for text in info['Value']['StringWithMarkup']:
+                                            if 'String' in text:
+                                                features['mechanism'] = text['String'][:500]  # Limit to 500 chars
+                                                break
+
+
+                        # Look for metabolism information
+                        if section['TOCHeading'] == 'metabolism':
+                            if 'Information' in section:
+                                for info in section['Information']:
+                                    if 'Value' in info and 'StringWithMarkup' in info['Value']:
+                                        for text in info['Value']['StringWithMarkup']:
+                                            if 'String' in text:
+                                                features['metabolism'] = text['String'][:500]  # Limit to 500 chars
+                                                break
+
+
+                        # Look for route-of-elimination information
+                        if section['TOCHeading'] == 'route-of-elimination':
+                            if 'Information' in section:
+                                for info in section['Information']:
+                                    if 'Value' in info and 'StringWithMarkup' in info['Value']:
+                                        for text in info['Value']['StringWithMarkup']:
+                                            if 'String' in text:
+                                                features['route-of-elimination'] = text['String'][:500]  # Limit to 500 chars
+                                                break
+
+
+                        # Look for half-life information
+                        if section['TOCHeading'] == 'half-life':
+                            if 'Information' in section:
+                                for info in section['Information']:
+                                    if 'Value' in info and 'StringWithMarkup' in info['Value']:
+                                        for text in info['Value']['StringWithMarkup']:
+                                            if 'String' in text:
+                                                features['half-life'] = text['String'][:500]  # Limit to 500 chars
+                                                break
+
+
+                
+
+
+                                                
         
         return features
         
@@ -343,6 +403,11 @@ def predict_severity(drug1, drug2):
                 'SMILES': ['SMILES', 'smiles'],
                 'pharmacodynamics': ['pharmacodynamics', 'Pharmacodynamics', 'pharmacology'],
                 'toxicity': ['toxicity', 'Toxicity']
+                'mechanism': ['mechanism', 'Mechanism']
+                'metabolism': ['metabolism', 'Metabolism']
+                'route-of-elimination': ['route-of-elimination', 'Route-of-elimination']
+            -   'half-life': ['half-life', 'Half-life']
+            
             }
             
             for feature, possible_cols in column_mappings.items():
@@ -388,7 +453,11 @@ def predict_severity(drug1, drug2):
             drug1_features = {
                 'SMILES': 'No data from API',
                 'pharmacodynamics': 'No data from API',
-                'toxicity': 'No data from API'
+                'toxicity': 'No data from API',
+                'mechanism': 'No data from API',
+                'metabolism': 'No data from API',
+                'route-of-elimination': 'No data from API',
+                'half-life': 'No data from API'
             }
             
         drug2_features = get_drug_features_from_api(drug2)
@@ -396,7 +465,11 @@ def predict_severity(drug1, drug2):
             drug2_features = {
                 'SMILES': 'No data from API',
                 'pharmacodynamics': 'No data from API',
-                'toxicity': 'No data from API'
+                'toxicity': 'No data from API',
+                'mechanism': 'No data from API',
+                'metabolism': 'No data from API',
+                'route-of-elimination': 'No data from API',
+                'half-life': 'No data from API'
             }
         
         # Verify we got data for both drugs