Data & ReproDrug Discovery & CheminformaticsFreedomIntelligence/OpenClaw-Medical-SkillsData & Reproduction

tooluniverse-chemical-compound-retrieval

Maintainer FreedomIntelligence · Last updated April 1, 2026

Retrieves chemical compound information from PubChem and ChEMBL with disambiguation, cross-referencing, and quality assessment. Creates comprehensive compound profiles with identifiers, properties, bioactivity, and drug information. Use when users need chemical data, drug information, or mention PubChem CID, ChEMBL ID, SMILES, InChI, or compound names.

OpenClawNanoClawAnalysisReproductiontooluniverse-chemical-compound-retrieval🏥 medical & clinicaldrug safety & chemical biologyretrieves

Original source

FreedomIntelligence/OpenClaw-Medical-Skills

https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/tooluniverse-chemical-compound-retrieval

Maintainer: FreedomIntelligence
License: MIT
Last updated: April 1, 2026

Skill Snapshot

Key Details From SKILL.md

2 min

Key Notes

Retrieve comprehensive chemical compound data with proper disambiguation and cross-database validation.
IMPORTANT: Always use English compound names and search terms in tool calls, even if the user writes in another language (e.g., translate "阿司匹林" to "aspirin"). Only try original-language terms as a fallback if English returns no results. Respond in the user's language.
if user_provided_cid: cid = user_provided_cid elif user_provided_smiles: result = tu.tools.PubChem_get_CID_by_SMILES(smiles=smiles) cid = result["data"]["cid"] elif user_provided_name: result = tu.tools.PubChem_get_CID_by_compound_name(compound_name=name) cid = result["data"]["cid"].

Source Doc

Excerpt From SKILL.md

Phase 0: Clarification (When Needed)

Ask the user ONLY if:

Compound name is highly ambiguous (e.g., "vitamin E" → α, β, γ, δ-tocopherol?)
Multiple distinct compounds share the name (e.g., "aspirin" is clear; "sterol" is not)

Skip clarification for:

Unambiguous drug names (aspirin, ibuprofen, metformin)
Specific identifiers provided (CID, ChEMBL ID, SMILES)
Clear structural queries (SMILES, InChI)

1.1 Resolve Primary Identifier

from tooluniverse import ToolUniverse
tu = ToolUniverse()
tu.load_tools()

## 1.2 Cross-Reference Identifiers

Always establish compound identity across both databases:

```python

Use cases

Use when users need chemical data, drug information, or mention PubChem CID, ChEMBL ID, SMILES, InChI, or compound names.

Not for

Do not rely on this catalog entry alone for installation or maintenance details.

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