Systematic medical reviews and evidence-based healthcare research
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 similarity. Returns a page of CIDs — reach matches past maxResults with offset. Optionally hydrate results with properties to avoid a follow-up pubchem_get_compound_details call.
ArgumentsA call is made on an account: it counts against an allowance and the publisher sees it, which is why this one asks who you are first.
What it does
Search the PubChem chemical database for compounds, properties, safety data and bioactivity.
Quickstart
# 1 — install (mcprush login holds a key from your dashboard)
npx mcprush@latest add pubchem-caseyjhand-com-pubchem-mcp
# 2 — ask your agent something
> Search the PubChem chemical database for compounds, properties, safety data and bioactivity.
PubChem is free: there is no plan to choose, no cap to set and nothing that can bill you.
Collected from a public index. Nobody has claimed this account, so nothing here was written by its author — claim it if it is yours.
Where are you running it?
Every route below installs the same thing and ends at the same approval screen. Nothing here runs on your machine — this server runs on the publisher’s own infrastructure behind our gateway, and what you install is the connection to it.
This is a public server: you run it yourself and this marketplace is not in the path. Claude Code registers it in one command.
claude mcp add --transport http pubchem-caseyjhand-com-pubchem-mcp https://pubchem.caseyjhand.com/mcpReconnect, or start a new session, and the tools appear in the model’s tool list.
One config entry pointing at the gateway. The server itself runs on the publisher’s own infrastructure, so nothing from this listing executes on your machine.
10 tools, with what each one reads, writes and reaches shown before you agree — the same list on every route above. Read the tool surface.
Tool surface
What the model actually sees. Descriptions are diffed on every release — see version history.
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 similarity. Returns a page of CIDs — reach matches past maxResults with offset. Optionally hydrate results with properties to avoid a follow-up pubchem_get_compound_details call.
Takes no parameters.
Get detailed compound information by CID. Returns physicochemical properties (molecular weight, SMILES, InChIKey, XLogP, TPSA, etc.), optionally with a textual description (pharmacology, mechanism, therapeutic use), known synonyms, drug-likeness assessment (Lipinski/Veber rules), and/or pharmacological classification (FDA classes, MeSH classes, ATC codes). Accepts up to 100 CIDs per call.
Takes no parameters.
Fetch a 2D structure diagram (PNG image) for a compound by CID.
Takes no parameters.
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 SDF text for passthrough to docking, rendering, or conformer tools. Optionally lists alternate conformer IDs. Not every compound has computed 3D coordinates (large molecules, mixtures, and some salts do
Takes no parameters.
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 with the total count reported; reach the IDs past a page with offset.
Takes no parameters.
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 statements (P-codes) per compound. Data sourced from PubChem depositors — source attribution included.
Takes no parameters.
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 (IC50, EC50, Ki, etc.). Filter by outcome and/or a specific molecular target (NCBI Gene ID or protein accession) to focus the profile — e.g. "is this compound active against target T?".
Takes no parameters.
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 carries its originating source. Results are paged per kind, with the source-record total and the next offset reported for each. Richest for approved drugs; many compounds have no deposited interaction record
Takes no parameters.
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 maxResults with offset — which can be explored further with pubchem_get_summary.
Takes no parameters.
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.
Takes no parameters.
- Every tool, no call limit
- No card, no account needed
- Source published under a licence you can read
- Runs on your machine — nothing of it reaches our gateway
- Nothing to cap, because nothing bills
What counts against your monthly calls
| Tool | Unit | Calls used | Out of the allowance |
|---|
Nothing here is billable. PubChem costs nothing to install and nothing to call, at any volume.
Two independent axes, because powerful and malicious are different questions. The grade is threat only. The capability level is blast radius, and it is never a penalty on the grade — it is priced as one subtract-only term in the score, where you can see it.
This listing is a hosted endpoint: the publisher runs it and we connect to it. The scanner reads packages and source, and neither exists to read here, so there is no grade — not a withheld one, an unmeasured one. What can be checked instead is on Installation: what it asks to reach and what it writes.
Release history
Pinned to 0.6.1 — the install command below asks for that release. A pin is part of an install, so it is kept for this visit and written down when you install.
No release note was published with this version.
Only accounts with at least 50 real tool calls against this server in the last 90 days can post. Ratings are weighted by how much the reviewer actually uses it, and publishers can reply once per review.
Writing one takes an account with at least 50 real tool calls against PubChem in the last 90 days. That is the whole gate — there is no other way to post, which is why the counts beside each review are worth reading.
Nobody has reviewed this listing. The rating on the card is the mean of the reviews written here and nothing else, so there is no rating until somebody writes the first — which takes an account with 50 real tool calls against it.