pubchem-compound-search
CommunitySearch PubChem for chemical compounds.
Education & Research#drug discovery#molecular properties#cheminformatics#chemistry#pubchem#compound search
Authorjaechang-hits
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill allows users to efficiently search and retrieve information about chemical compounds from the vast PubChem database, streamlining chemical research and drug discovery workflows.
Core Features & Use Cases
- Compound Lookup: Find compounds by name, CID, SMILES, or molecular formula.
- Property Retrieval: Access key molecular properties like molecular weight, LogP, and TPSA.
- Structure Searching: Perform similarity and substructure searches to identify related molecules.
- Bioactivity Data: Retrieve assay results and screening information.
- Use Case: A medicinal chemist needs to find compounds similar to a known drug candidate to explore structure-activity relationships. They can use this Skill to input the candidate's SMILES and find structurally similar compounds with their associated properties.
Quick Start
Use the pubchem-compound-search skill to find the PubChem CID and molecular weight for aspirin.
Dependency Matrix
Required Modules
pubchempyrequestspandas
Components
scriptsreferences
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: pubchem-compound-search Download link: https://github.com/jaechang-hits/SciAgent-Skills/archive/main.zip#pubchem-compound-search Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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