EcoDrug+ REST API Endpoints

Compound Information
Resource Description
GET /data/Compounds Fetches a list of compounds.
GET /data/Compounds/compound_id/:id Fetches compound information using the EcoDrug+ compound ID (e.g., compound_id=2122934).
GET /data/Compounds/preferred_name/:preffered name Fetches compound information using the EcoDrug+ preferred name (e.g., pref_name='Alprazolam').
GET /data/Compounds/CASRN/:CASRN Fetches compound information using the EcoDrug+ CAS Registry Number (e.g., CASRN=28981-97-7).

Compounds Structure
Resource Description
GET /data/CompoundStructure Fetches a list of compounds along with their chemical structures.
GET /data/CompoundStructure/compound_id/:id Fetches the compound structure (e.g., id=2127924)
GET /data/CompoundStructure/preferred_name/:preffered name Fetches the compound structure (e.g., preferred name = Alprazolam).
GET /data/CompoundStructure/CASRN/:CASRN Fetches the compound structure using the CAS Registry Number (e.g., CASRN=28981-97-7).

Drug Mechanism
Resource Description
GET /data/DrugMechanism Fetches a list of compounds along with their mechanisms of action.
GET /data/DrugMechanism/compound_id/:id Fetches the mechanism of action for compounds using the EcoDrug+ identifier (e.g., compound_id = 2122934).
GET /data/DrugMechanism/preferred_name/:preffered name Fetches the mechanism of action for compounds using compound preffered name (eg., preffered name='Alprazolam')
GET /data/DrugMechanism/CASRN/:CASRN Fetches the mechanism of action for compounds using the CAS Registry Number (eg. CAS RN='28981-97-7')

Chemical Similarity
Resource Description
GET /data/ChemicalSimilarity Fetches a list of clustered compounds consisting of active pharmaceutical ingredients.
GET /data/ChemicalSimilarity/preferred_name/:preffered name Fetches clustered compounds containing active pharmaceutical ingredients using the preferred name (e.g., preferred name='Alprazolam').
GET /data/ChemicalSimilarity/CASRN/:CASNR Fetches clustered compounds containing active pharmaceutical ingredients using the CAS Registry Number (eg., CAS RN ='28981-97-7' )
GET /data/ChemicalSimilarity/SMILES/:smiles/cut_off/:cut_off Retrieves similar compounds that include active pharmaceutical ingredients using SMILES and similarity thresholds (e.g., Smiles='Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2', cut_off=0.5).
GET /data/ChemicalSimilarity/Exact/SMILES/:smiles/ Fetches compounds containing active pharmaceutical ingredients using an exact search (e.g., Smiles='Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2').
GET /data/ChemicalSimilarity/substructure/SMILES/:smiles/ Fetches similar compounds that contain active pharmaceutical ingredients using a substructure search (e.g., Smiles='Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2').

Target Conservation
Resource Description
GET /data/TargetConservation/Organism/:organism/preffredname/:preffered name Retrieves drug target conservation using the compound preferred name (e.g., Organism='Homo sapiens', preferred name='Alprazolam').
GET /data/TargetConservation/Organism/:organism/target_species/:target_species/preffredname/:preffered name Fetches drug target conservation using the compound's preferred name, query organism, and target organism (e.g., Organism='Homo sapiens', target_species='Danio rerio', preferred name='Alprazolam').