A chemical informatics tool that converts and validates molecular identifiers using the authoritative PubChem database.
Install & Download
1. ClawHub CLI
The fastest way to install a skill directly from the registry.
npx clawhub@latest install intern-pubchem-name-conversion
2. Manual Installation
Copy the skill folder to one of these locations
~/.openclaw/skills/ <project>/skills/ Priority: Workspace > Local > Bundled
3. Prompt Installation
Copy this prompt to OpenClaw to install it automatically.
Help me install intern-pubchem-name-conversion using Clawhub. If Clawhub is not installed, install it first (npm i -g clawhub).
Prefer to download?
Get the raw skill files in a ZIP archive.
What is PubChem Name Conversion?
The PubChem Name Conversion skill provides a specialized interface for translating chemical identifiers between various formats. Built for Openclaw Skills, it serves as a bridge for researchers and developers who need to move between IUPAC nomenclature, SMILES strings, and molecular formulas without manual searching. By using PubChem as the source of truth, the skill eliminates the risk of hallucination or incorrect structural representation in chemistry workflows.
This skill is designed to prioritize data integrity and accuracy. It uses the official PubChem PUG REST API to ensure that every conversion is backed by verified scientific data. Whether you are normalizing a dataset or preparing inputs for molecular modeling, this utility for Openclaw Skills provides a consistent and programmatically accessible way to handle chemical identity resolution.
PubChem Name Conversion Use Cases
- Convert complex IUPAC chemical names into SMILES strings for computational processing.
- Retrieve molecular formulas for compounds based on their common or systematic names.
- Validate chemical identities by cross-referencing input strings against the PubChem database.
- Standardize molecular representations within scientific research tasks using Openclaw Skills.
- Automate CID resolution for ambiguous chemical queries.
How PubChem Name Conversion Works
- The system receives a molecular representation and identifies if it is a SMILES string or an IUPAC name based on specific character markers.
- The input string is URL-encoded using python3 to ensure compatibility with API request structures.
- A request is dispatched to the PubChem PUG REST property endpoint to fetch SMILES, IUPACName, and MolecularFormula.
- If the primary lookup fails, the skill performs a fallback search using fast identity matching or CID (Compound ID) resolution.
- The final verified data is extracted from the PubChem PropertyTable and returned in a clean JSON format for use in Openclaw Skills.
PubChem Name Conversion Setup
This skill requires curl and python3 to be available in the environment path. No external API keys are required as it uses the public PUG REST interface.
# Ensure dependencies are installed
sudo apt-get install curl python3
# The skill will automatically use python3 for URL encoding
To integrate this with your Openclaw Skills environment, ensure the skill definition is recognized in your agent's configuration file.
PubChem Name Conversion Data Schema & Taxonomy
The output is returned as a flat JSON object containing verified chemical properties. Empty strings are returned for fields that cannot be resolved.
| Property | Description | Example |
|---|---|---|
smiles |
The Simplified Molecular Input Line Entry System string. | CCO |
iupac |
The formal IUPAC systematic name. | ethanol |
formula |
The molecular formula of the compound. | C2H6O |
PubChem Name Conversion Advanced Features
- Intelligent SMILES detection based on bond symbols like
=,#, and[. - Multi-stage fallback logic including CID resolution to maximize successful lookups.
- Preservation of stereochemistry markers to ensure chemical precision within Openclaw Skills.
- Robust error handling that returns a consistent schema even when data is missing.
SKILL.md
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