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.

LOOK UP DON'T GUESS - Always retrieve actual data from tools before drawing conclusions. Do not assume druggability, binding sites, or compound properties based on target class alone.

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
5. Evidence grading - Grade candidates by supporting evidence
6. Actionable output - Provide prioritized candidates with rationale
7. English-first queries - Always use English terms in tool calls. Respond in the user's language

Binding Site Reasoning (Start Here)