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SPARQL Query
Example Queries (click to load)
FDA-approved drugs - toxicity profile
ADMET-AI toxicity predictions for DrugBank approved drugs
toxicity
LD50
ADMET
High cardiac risk (hERG inhibition)
Drugs with highest hERG channel inhibition - cardiac safety concern
cardiac
hERG
safety
Mutagenic compounds (Ames positive)
Compounds predicted positive for Ames mutagenicity test
mutagenicity
Ames
genotoxicity
Liver toxicity risk (DILI)
Drug-induced liver injury predictions
liver
DILI
hepatotoxicity
Blood-brain barrier penetration
Compounds predicted to cross the blood-brain barrier
BBB
CNS
permeability
List all datasets (bricks)
Show all BioBricks datasets with table counts
metadata
overview
CSVW
Tables in ADMET-AI brick
List all tables within the ADMET-AI dataset
CSVW
exploration
schema
Sample any 5 triples
Quick exploration - get 5 random triples from the graph
exploration
sample
Find predicates for a brick
Discover available columns/predicates in ADMET-AI
schema
exploration
Safest drugs (low toxicity)
Drugs with best overall safety profile
safety
low-toxicity
Count triples per brick
Statistics: how many triples in each dataset
statistics
metadata
Drug with SMILES structure
Get drug names with their SMILES molecular structures
structure
SMILES
chemistry