# PubChem

`dev.mcpharbor.gateway/pubchem`, version 1.0.0

PubChem chemistry: compound properties, molecule structures, SMILES, safety, bioassays

- MCP endpoint: `https://gateway.mcpharbor.dev/mcp/pubchem` for this server alone, or `https://gateway.mcpharbor.dev/mcp` for every server
- Authentication: `Authorization: Bearer <your gateway API key>`
- Price per tool call: $0.0001 (100 micro-USD)
- Registry entry: <https://gateway.mcpharbor.dev/v0.1/servers/dev.mcpharbor.gateway%2Fpubchem/versions/latest>
- Every tool, machine-readable: <https://gateway.mcpharbor.dev/llms-full.txt>

## Provider

We proxy this provider under the terms below, re-checked on a schedule. If a re-check ever
says no, the server and its tools leave the catalog and this page disappears with them.

| Fact | Value |
| --- | --- |
| Terms of use | <https://www.ncbi.nlm.nih.gov/home/about/policies/> |
| Terms verified on | 2026-09-19 |
| API documentation | <https://pubchem.ncbi.nlm.nih.gov/docs/pug-rest> |
| Upstream API key | none required |
| Rate limit | 350 requests per minute |
| Website | <https://pubchem.ncbi.nlm.nih.gov/docs/pug-rest> |
| Compliance notes | 5 requests/second and 400/minute, dynamically throttled under load. |

## Attribution

This provider requires the attribution below wherever you use results from its tools.
Reproduce it verbatim:

> Attribution to source recommended, not mandatory

## Tools (10)

Every call below costs $0.0001 (100 micro-USD). Listing them costs nothing.

| Tool | Description | Price per call | Documentation |
| --- | --- | --- | --- |
| `pubchem__pubchem_get_bioactivity` | Get a compound's bioactivity profile: which assays tested it, activity outcomes (Active/Inactive/Inconclusive), target identifiers (NCBI Gene ID, UniProt/GenBank accession), and quantitative values... | $0.0001 | [pubchem__pubchem_get_bioactivity](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_get_bioactivity) |
| `pubchem__pubchem_get_compound_3d_structure` | Get a compound's default 3D conformer — atomic coordinates and bonds — for one CID. format="json" (default) returns atoms and bonds parsed into structured fields; format="sdf" returns the raw V2000... | $0.0001 | [pubchem__pubchem_get_compound_3d_structure](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_get_compound_3d_structure) |
| `pubchem__pubchem_get_compound_details` | Get detailed compound information by CID. Returns physicochemical properties (molecular weight, SMILES, InChIKey, XLogP, TPSA, etc.), optionally with a textual description (pharmacology, mechanism,... | $0.0001 | [pubchem__pubchem_get_compound_details](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_get_compound_details) |
| `pubchem__pubchem_get_compound_image` | Fetch a 2D structure diagram (PNG image) for a compound by CID. | $0.0001 | [pubchem__pubchem_get_compound_image](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_get_compound_image) |
| `pubchem__pubchem_get_compound_interactions` | Get a compound's interaction data: drug-drug interactions (DrugBank), drug-food interactions, and chemical-target interactions (binding/activity from BindingDB, ChEMBL, and others). Each entry carr... | $0.0001 | [pubchem__pubchem_get_compound_interactions](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_get_compound_interactions) |
| `pubchem__pubchem_get_compound_safety` | Get GHS (Globally Harmonized System) hazard classification and safety data for one or more compounds by CID. Returns signal word, pictograms, hazard statements (H-codes), and precautionary statemen... | $0.0001 | [pubchem__pubchem_get_compound_safety](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_get_compound_safety) |
| `pubchem__pubchem_get_compound_xrefs` | Get external database cross-references for a compound: PubMed citations, patent IDs, gene/protein associations, registry numbers, and taxonomy IDs. Results are paged per type — capped at maxPerType... | $0.0001 | [pubchem__pubchem_get_compound_xrefs](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_get_compound_xrefs) |
| `pubchem__pubchem_get_summary` | Get descriptive summaries for PubChem entities by ID. Supports assays (AID), genes (Gene ID), proteins (UniProt accession), and taxonomy (Tax ID). Up to 10 per call. | $0.0001 | [pubchem__pubchem_get_summary](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_get_summary) |
| `pubchem__pubchem_search_assays` | Find PubChem bioassays associated with a biological target. Search by gene symbol (e.g. "EGFR"), protein name, NCBI Gene ID, or UniProt accession. Returns a page of assay IDs (AIDs) — page past max... | $0.0001 | [pubchem__pubchem_search_assays](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_search_assays) |
| `pubchem__pubchem_search_compounds` | Search PubChem for chemical compounds by identifier (name, SMILES, or InChIKey, batched up to 25), molecular formula in Hill notation, substructure or superstructure containment, or 2D Tanimoto sim... | $0.0001 | [pubchem__pubchem_search_compounds](https://gateway.mcpharbor.dev/docs/tools/pubchem__pubchem_search_compounds) |

## Price

- $0.0001 (100 micro-USD) per tool call.
- Billed on: each tools/call that reaches the upstream and returns a result.
- Free: server/discover, tools/list, registry endpoints, docs files.
- Payment: prepaid credits, drawn down per call. A call your balance cannot cover is refused with HTTP 402 before any upstream is contacted.
- A charged call that then fails upstream is refunded automatically.
- Retries are ordinary calls. There is no client idempotency key, so repeating a request that was already charged buys a second call - see [agent.txt](https://gateway.mcpharbor.dev/agent.txt), section 7.
