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4 changes: 4 additions & 0 deletions nedrexdb/db/models/nodes/drug.py
Original file line number Diff line number Diff line change
Expand Up @@ -33,6 +33,7 @@ class Drug(_BaseModel, DrugBase):
drugGroups: list[str] = _Field(default_factory=list)
casNumber: _StrictStr = ""
indication: _StrictStr = ""
approvedEuDrugs: list[str] = _Field(default_factory=list)

def generate_update(self):
tnow = _datetime.datetime.utcnow()
Expand All @@ -44,6 +45,7 @@ def generate_update(self):
"drugCategories": {"$each": self.drugCategories},
"drugGroups": {"$each": self.drugGroups},
"dataSources": {"$each": self.dataSources},
"approvedEuDrugs": {"$each": self.approvedEuDrugs},
},
"$setOnInsert": {"created": tnow},
"$set": {
Expand Down Expand Up @@ -76,6 +78,7 @@ def generate_update(self):
"synonyms": {"$each": self.synonyms},
"drugCategories": {"$each": self.drugCategories},
"drugGroups": {"$each": self.drugGroups},
"approvedEuDrugs": {"$each": self.approvedEuDrugs},
},
"$set": {
"displayName": self.displayName,
Expand Down Expand Up @@ -111,6 +114,7 @@ def generate_update(self):
"synonyms": {"$each": self.synonyms},
"drugCategories": {"$each": self.drugCategories},
"drugGroups": {"$each": self.drugGroups},
"approvedEuDrugs": {"$each": self.approvedEuDrugs},
},
"$set": {
"displayName": self.displayName,
Expand Down
36 changes: 36 additions & 0 deletions nedrexdb/db/parsers/drugbank.py
Original file line number Diff line number Diff line change
Expand Up @@ -210,7 +210,42 @@ def get_iupac(self) -> _Optional[str]:

def get_molecular_formula(self) -> _Optional[str]:
return self._calculated_properties.get("Molecular Formula")

def get_eu_approved_drugs(self) -> list[str]:

products_block = self._entry.get(ns("products"))
if not products_block:
return []

products = products_block.get(ns("product"))
if not products:
return []

if isinstance(products, _OrderedDict):
products = [products]

eu_approved_names = set()

for p in products:

def get(field):
val = p.get(ns(field))
if not val:
return None
return val.get("$")

country = get("country")
if country != "EU":
continue

name = get("name")
approved = get("approved")

if approved and name:
eu_approved_names.add(name)
return list(eu_approved_names)


def get_sequences(self) -> list[str]:
sequences: list[str] = []

Expand Down Expand Up @@ -249,6 +284,7 @@ def parse(self):

d.displayName = self.get_display_name()
d.synonyms = self.get_synonyms()
d.approvedEuDrugs = self.get_eu_approved_drugs()
d.drugCategories = self.get_drug_categories()
d.drugGroups = self.get_drug_groups()
d.casNumber = self.get_cas_number()
Expand Down
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