pubchem-query
CommunityInstant PubChem queries for chemists.
Data & Analytics#retrieval#structure#bioactivity#chemistry#pubchem#similarity-search#compound-search
AuthorPharMolix
Version1.0.0
Installs0
System Documentation
What problem does it solve?
PubChem Query provides programmatic access to chemical structure retrieval, similar compound search, and bioactivity data to accelerate drug discovery workflows.
Core Features & Use Cases
- Name/ID to structure: convert chemical names or identifiers to SMILES or SDF representations.
- Similarity search: retrieve compounds similar to a query structure with configurable thresholds.
- Bioactivity data: fetch activity information across assays, targets, and compounds.
Quick Start
Run a name-to-structure query for a compound and obtain its SMILES and related analogs.
Dependency Matrix
Required Modules
None requiredComponents
references
💻 Claude Code Installation
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Please help me install this Skill: Name: pubchem-query Download link: https://github.com/PharMolix/OpenBioMed/archive/main.zip#pubchem-query Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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