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scientific-compound-screening

Retrieve purchasable compounds from the ZINC database by name or SMILES.

3|1|Updated Feb 11, 2026
Search Tags:#drug-discovery#smiles#virtual-screening#similarity-search#zinc#compound-screening#catalog-filtering
One-click install
npx skills add https://github.com/nahisaho/satori --skill scientific-compound-screening
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: scientific-compound-screening
Source: https://github.com/nahisaho/satori/tree/main/src/.github/skills/scientific-compound-screening
Command: npx skills add https://github.com/nahisaho/satori --skill scientific-compound-screening

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

化合物スクリーニングとデータ取得の自動化を実現し、研究者がZINCデータベースから購入可能な化合物を迅速に特定できるようにします。

Core Features & Use Cases

  • ZINCデータベースを活用した購入可能化合物の検索: 名前やSMILESから迅速に候補を抽出し、購買可能性を絞り込みます。
  • SMILES/名前ベースの類似性検索: 指定した化合物に対して構造的に類似する候補を取得します。
  • カタログフィルタリング: ベンダーカタログを横断して適切なリストを作成します。
  • バーチャルスクリーニング前処理パイプライン: 検索結果を前処理し、スクリーニング用セットを構築します。

Quick Start

Search ZINC for purchasable compounds by name or SMILES and prepare a ready-to-screen set.

Frequently Asked Questions about scientific-compound-screening

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

FAQPage Schema
How do I search ZINC for purchasable compounds by name or SMILES?▼

You can search ZINC for purchasable compounds by providing a chemical name or SMILES string. The Skill queries the ZINC database, applies similarity filtering, and returns structured results for compound selection.

Can I filter ZINC database vendor catalogs for virtual screening?▼

Yes, catalog filtering is supported across vendor catalogs within the ZINC database. This allows you to create appropriate, purchasable compound lists for your virtual screening workflows.

Does compound similarity searching require network access to ZINC?▼

Network access to ZINC is required to retrieve compounds and perform similarity searching. The Skill uses Python tools like requests and pandas to handle data and output structured results.

What is the best way to prepare a compound set for lead discovery from ZINC?▼

The best way to prepare a compound set for lead discovery is using the virtual screening preprocessing pipeline. It takes ZINC search results and structures them into a ready-to-screen set for downstream analysis.

Can I use SMILES-based similarity search for library curation?▼

SMILES-based similarity search is fully supported for library curation. By specifying a target compound via SMILES, you can retrieve structurally similar candidates from the ZINC database.

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