Update genesis/api_clients/chembl_api.py

genesis/api_clients/chembl_api.py

@@ -1,32 +1,26 @@
 # genesis/api_clients/chembl_api.py
 import requests
 
-BASE_URL = "https://www.ebi.ac.uk/chembl/api/data"
+CHEMBL_BASE = "https://www.ebi.ac.uk/chembl/api/data"
 
-def search_molecule(query: str):
-    """Search ChEMBL molecules by name or ChEMBL ID."""
-    url = f"{BASE_URL}/molecule/search.json?q={query}"
-    response = requests.get(url)
-    response.raise_for_status()
-    return response.json()
+def search_chembl(molecule_name: str, max_results: int = 10):
+    """
+    Search ChEMBL database for a molecule by name or identifier.
+    Returns a list of dicts with molecule name, ChEMBL ID, and other details.
+    """
+    url = f"{CHEMBL_BASE}/molecule"
+    params = {"molecule_synonyms__icontains": molecule_name, "limit": max_results, "format": "json"}
+    res = requests.get(url, params=params)
+    res.raise_for_status()
+    data = res.json()
 
-def get_molecule_details(chembl_id: str):
-    """Get details of a molecule by ChEMBL ID."""
-    url = f"{BASE_URL}/molecule/{chembl_id}.json"
-    response = requests.get(url)
-    response.raise_for_status()
-    return response.json()
-
-def get_assays_for_molecule(chembl_id: str):
-    """Get bioassays related to a molecule."""
-    url = f"{BASE_URL}/assay.json?molecule_chembl_id={chembl_id}"
-    response = requests.get(url)
-    response.raise_for_status()
-    return response.json()
-
-def get_targets_for_molecule(chembl_id: str):
-    """Get protein targets related to a molecule."""
-    url = f"{BASE_URL}/target.json?molecule_chembl_id={chembl_id}"
-    response = requests.get(url)
-    response.raise_for_status()
-    return response.json()
+    results = []
+    for mol in data.get("molecules", []):
+        results.append({
+            "name": mol.get("pref_name"),
+            "chembl_id": mol.get("molecule_chembl_id"),
+            "max_phase": mol.get("max_phase"),
+            "molecule_type": mol.get("molecule_type"),
+            "link": f"https://www.ebi.ac.uk/chembl/compound_report_card/{mol.get('molecule_chembl_id')}/"
+        })
+    return results