unichem-database
CommunityCross-reference chemical IDs across databases.
Education & Research#drug discovery#cheminformatics#chemistry#identifier mapping#database cross-reference#unichem
Authorjaechang-hits
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill helps researchers and developers quickly find and link chemical compound information across dozens of major scientific databases, overcoming the challenge of disparate identifier systems.
Core Features & Use Cases
- Identifier Translation: Convert between various chemical identifiers (e.g., ChEMBL ID, PubChem CID, DrugBank accession) using a common InChIKey.
- Structural Similarity Search: Find compounds with the same core structure, regardless of stereochemistry or salt form.
- Database Coverage Mapping: Determine which databases contain information for a given compound.
- Use Case: A medicinal chemist has a list of compounds from a ChEMBL bioactivity screen and needs to find their corresponding DrugBank IDs to check for existing drug status. This Skill can automate that lookup.
Quick Start
Use the unichem-database skill to find all database sources for the compound with InChIKey 'BSYNRYMUTXBXSQ-UHFFFAOYSA-N'.
Dependency Matrix
Required Modules
requestspandasmatplotlib
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: unichem-database Download link: https://github.com/jaechang-hits/SciAgent-Skills/archive/main.zip#unichem-database Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
Agent Skills Search Helper
Install a tiny helper to your Agent, search and equip skill from 223,000+ vetted skills library on demand.