Fda Gsrs Tools

Configuration File: fda_gsrs_tools.json Tool Type: Local Tools Count: 4

This page contains all tools defined in the fda_gsrs_tools.json configuration file.

Available Tools

FDAGSRS_get_structure (Type: FDAGSRSTool)

Get chemical structure data for an FDA-regulated substance by UNII code. Returns SMILES, molecula…

FDAGSRS_get_structure tool specification

Tool Information:

  • Name: FDAGSRS_get_structure

  • Type: FDAGSRSTool

  • Description: Get chemical structure data for an FDA-regulated substance by UNII code. Returns SMILES, molecular formula, InChIKey, molfile, molecular weight, stereochemistry, and optical activity. No API key required. Only works for chemical substances; returns error for proteins, mixtures, or non-chemical substances. Example: UNII ‘R16CO5Y76E’ (aspirin) -> SMILES ‘CC(=O)Oc1ccccc1C(O)=O’.

Parameters:

  • unii (string) (required) FDA UNII code for the chemical substance. Examples: ‘R16CO5Y76E’ (aspirin), ‘9100L32L2N’ (ibuprofen), ‘4T6H12BN9U’ (metformin), ‘IY9XDZ35W2’ (cisplatin).

Example Usage:

query = {
    "name": "FDAGSRS_get_structure",
    "arguments": {
        "unii": "example_value"
    }
}
result = tu.run(query)

FDAGSRS_get_substance (Type: FDAGSRSTool)

Get full FDA substance record by UNII (Unique Ingredient Identifier) code. Returns complete subst…

FDAGSRS_get_substance tool specification

Tool Information:

  • Name: FDAGSRS_get_substance

  • Type: FDAGSRSTool

  • Description: Get full FDA substance record by UNII (Unique Ingredient Identifier) code. Returns complete substance data including all names, cross-references (DrugBank, WHO-ATC, CAS, EC number, CFR), structure, and approval status. No API key required. UNII is the official FDA identifier for all regulated substances. Example: UNII ‘R16CO5Y76E’ = aspirin.

Parameters:

  • unii (string) (required) FDA UNII (Unique Ingredient Identifier) code. 10-character alphanumeric string. Examples: ‘R16CO5Y76E’ (aspirin), ‘9100L32L2N’ (ibuprofen), ‘4T6H12BN9U’ (metformin), ‘57GNO57U7G’ (semaglutide).

Example Usage:

query = {
    "name": "FDAGSRS_get_substance",
    "arguments": {
        "unii": "example_value"
    }
}
result = tu.run(query)

FDAGSRS_get_substance_relationships (Type: FDAGSRSTool)

Get the FDA GSRS substance relationship graph plus regulatory references for a substance by UNII….

FDAGSRS_get_substance_relationships tool specification

Tool Information:

  • Name: FDAGSRS_get_substance_relationships

  • Type: FDAGSRSTool

  • Description: Get the FDA GSRS substance relationship graph plus regulatory references for a substance by UNII. Returns the full set of relationship edges that the default substance view drops as unexpanded link stubs: salt/solvate->parent, impurity->parent, metabolite->parent (including METABOLITE ACTIVE / METABOLITE INACTIVE), prodrug->metabolite-active, and the active moiety, each with the related substance name+UNII, interaction type, qualification, amount, and comments. Also returns the regulatory/literature references attached to the record. No API key required. Example: UNII ‘R16CO5Y76E’ (aspirin) -> 37 relationships + 78 references.

Parameters:

  • unii (string) (required) FDA UNII (Unique Ingredient Identifier) code. Examples: ‘R16CO5Y76E’ (aspirin), ‘9100L32L2N’ (ibuprofen), ‘4T6H12BN9U’ (metformin).

  • relationship_type ([‘string’, ‘null’]) (optional) Optional case-insensitive substring filter on relationship type. Examples: ‘METABOLITE’, ‘SALT/SOLVATE’, ‘IMPURITY’, ‘PRODRUG’, ‘ACTIVE MOIETY’. Default: no filter (all relationships).

  • include_references ([‘boolean’, ‘null’]) (optional) Whether to include the regulatory/literature references attached to the record. Default: true.

  • max_references ([‘integer’, ‘null’]) (optional) Maximum number of references to return (1-500, default 100).

Example Usage:

query = {
    "name": "FDAGSRS_get_substance_relationships",
    "arguments": {
        "unii": "example_value"
    }
}
result = tu.run(query)

FDAGSRS_search_substances (Type: FDAGSRSTool)

Search FDA GSRS (Global Substance Registration System) for substances by name, UNII code, InChIKe…

FDAGSRS_search_substances tool specification

Tool Information:

  • Name: FDAGSRS_search_substances

  • Type: FDAGSRSTool

  • Description: Search FDA GSRS (Global Substance Registration System) for substances by name, UNII code, InChIKey, or formula. Returns official FDA substance records with UNII identifiers, substance class, structure, and cross-references (DrugBank, WHO-ATC, CAS, EC/EINECS, CFR). No API key required. Example: ‘aspirin’ -> UNII R16CO5Y76E, chemical, approved.

Parameters:

  • query (string) (required) Search query: drug/chemical name, UNII code, InChIKey, or molecular formula. Examples: ‘aspirin’, ‘semaglutide’, ‘R16CO5Y76E’, ‘C9H8O4’, ‘BSYNRYMUTXBXSQ-UHFFFAOYSA-N’.

  • substance_class ([‘string’, ‘null’]) (optional) Filter by substance class. Options: ‘chemical’, ‘protein’, ‘mixture’, ‘polymer’, ‘nucleicAcid’, ‘structurallyDiverse’, ‘specifiedSubstanceG1’. Default: no filter (all classes).

  • limit ([‘integer’, ‘null’]) (optional) Maximum number of results to return (1-50, default 10).

Example Usage:

query = {
    "name": "FDAGSRS_search_substances",
    "arguments": {
        "query": "example_value"
    }
}
result = tu.run(query)