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pubchem-database

Query PubChem for compound properties and bioactivity data.

Updated Jan 10, 2026
Search Tags:#drug discovery#bioactivity#cheminformatics#chemistry#pubchem#compound search
One-click install
npx skills add https://github.com/robinbarvaag/poynt --skill pubchem-database-robinbarvaag
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: pubchem-database
Source: https://github.com/robinbarvaag/poynt/tree/main/.github/skills/pubchem-database
Command: npx skills add https://github.com/robinbarvaag/poynt --skill pubchem-database-robinbarvaag

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires pubchempy, requests, pandas, and includes scripts (resource) and references (resource) components.

What problem does it solve?

This Skill provides access to PubChem, the world's largest chemical database, enabling users to search for compounds, retrieve properties, and explore bioactivity data without needing to directly interact with complex APIs.

Core Features & Use Cases

  • Chemical Search: Find compounds by name, CID, SMILES, or molecular formula.
  • Property Retrieval: Get detailed molecular properties like molecular weight, XLogP, and TPSA.
  • Bioactivity Data: Access information on compound bioactivity and assay results.
  • Use Case: A researcher needs to find the molecular weight and XLogP for a list of potential drug candidates. This Skill can quickly retrieve this information for each compound.

Quick Start

Use the pubchem-database skill to find the molecular weight of aspirin.

Frequently Asked Questions about pubchem-database

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I retrieve molecular properties like molecular weight and XLogP from PubChem?▼

Search PubChem by compound name, CID, SMILES, or molecular formula to retrieve molecular properties. This Skill returns detailed data including molecular weight, XLogP, and TPSA for identified chemical compounds.

Can I perform a chemical compound search using SMILES strings?▼

Yes, you can search for chemical compounds using SMILES strings. This Skill queries PubChem using identifiers like SMILES, name, CID, and formula to retrieve compound information and bioactivity data.

What is the best way to access compound bioactivity data for drug discovery?▼

Access compound bioactivity data by querying PubChem with identifiers like name or CID. This Skill retrieves assay results and bioactivity information, supporting drug discovery and cheminformatics research tasks.

Do I need PubChemPy to look up chemical properties and molecular formulas?▼

Yes, PubChemPy is required to look up chemical properties and molecular formulas. This Skill depends on PubChemPy, requests, and pandas to query the PubChem database and retrieve compound property data.

Does this tool support similarity searches for chemical compounds?▼

Yes, this tool supports similarity searches for chemical compounds. It queries PubChem to find structurally related compounds and also handles property lookups and bioactivity analysis.

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