skills.rest
biomaps-infra
biomaps-infraOFFICIAL
Explore all skills by this author →
GitHub

db-zinc

Search and retrieve chemical compounds from the ZINC database by ID, SMILES, or supplier codes.

Updated Mar 13, 2026
Search Tags:#virtual screening#drug discovery#molecular docking#compounds#cheminformatics#zinc
One-click install
npx skills add https://github.com/biomaps-infra/blender-opencode --skill db-zinc
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: db-zinc
Source: https://github.com/biomaps-infra/blender-opencode/tree/main/.opencode/skills/db-zinc
Command: npx skills add https://github.com/biomaps-infra/blender-opencode --skill db-zinc

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes references (resource) components.

What problem does it solve?

This Skill provides access to the ZINC database, a vast repository of purchasable chemical compounds, enabling researchers to efficiently find molecules for virtual screening, lead discovery, and drug development.

Core Features & Use Cases

  • Compound Searching: Search by ZINC ID, SMILES, or supplier codes.
  • Similarity Searches: Find compounds structurally similar to a query molecule.
  • 3D Structure Retrieval: Access 3D-ready structures for molecular docking.
  • Use Case: Identify commercially available compounds similar to a known active molecule for lead optimization.

Quick Start

Search for compounds similar to 'c1ccccc1' with a Tanimoto distance of 3.

Frequently Asked Questions about db-zinc

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

FAQPage Schema
How do I search the ZINC database for chemical compounds by SMILES or ZINC ID?▼

You can search the ZINC database by ZINC ID, SMILES strings, or supplier codes to retrieve specific chemical compounds for virtual screening and lead discovery.

How do I find compounds structurally similar to a known active molecule for lead optimization?▼

Perform a similarity search using a query molecule like a SMILES string to find structurally similar compounds in the ZINC database, specifying parameters such as Tanimoto distance.

Can I retrieve 3D structures from ZINC for molecular docking studies?▼

Yes, you can retrieve 3D-ready structures from the ZINC database to support molecular docking studies and virtual screening workflows for drug discovery.

Does this ZINC database access tool support finding commercially available compounds for drug discovery?▼

Yes, the ZINC database is a vast repository of purchasable chemical compounds, enabling you to identify commercially available molecules for drug development and lead optimization.

What is the best way to identify analogs of a known active molecule using ZINC?▼

Query the ZINC database using the known molecule's SMILES string or ZINC ID to perform similarity searches and retrieve structurally related analogs for lead discovery.

Related Skills

Explore More Education & Research Skills→
K-Dense-AIK-Dense-AI
33.0k

zinc-database

Query ZINC22 for purchasable compounds and download 3D structures for docking.

Official
Intermediate
robonet-techrobonet-tech
1

trade-prediction-markets

Generate and backtest Python trading strategies for Polymarket YES/NO markets.

Official
Advanced
hxk622hxk622
8

zinc-database

Search and retrieve chemical compounds from the ZINC database by ZINC ID, SMILES, or supplier codes.

Community
Intermediate
itallstartedwithaideaitallstartedwithaidea
31

cheminformatics

Convert SMILES/SDF molecular structures into computed descriptors and screening outputs.

Community
Advanced