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binder-discovery

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ToolUniverse workflow — Binder Discovery

skills/binder-discovery/SKILL.md

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---
name: tooluniverse-binder-discovery
description: Discover novel small molecule binders for protein targets using structure-based and ligand-based approaches. Creates actionable reports with candidate compounds, ADMET profiles, and synthesis feasibility. Use when users ask to find small molecules for a target, identify novel binders, perform virtual screening, or need hit-to-lead compound identification.
---

# Small Molecule Binder Discovery Strategy

Systematic discovery of novel small molecule binders using 60+ ToolUniverse tools across druggability assessment, known ligand mining, similarity expansion, ADMET filtering, and synthesis feasibility.

**KEY PRINCIPLES**:
1. **Report-first approach** - Create report file FIRST, then populate progressively
2. **Target validation FIRST** - Confirm druggability before compound searching
3. **Multi-strategy approach** - Combine structure-based and ligand-based methods
4. **ADMET-aware filtering** - Eliminate poor compounds early