Individual skill
tooluniverse-binder-discovery
Discover novel small-molecule binders for protein targets using structure-based and ligand-based screening. Covers druggability assessment, known-ligand mining (ChEMBL, BindingDB), similarity expansion, ADMET filtering, and synthesis feasibility. Use for hit identification, virtual screening, target-to-compounds workflows, and lead-finding before commit-to-medchem.
plugins/tooluniverse/skills/tooluniverse-binder-discovery/SKILL.md
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CHECKLIST.mddoc · 8,321 bytesEXAMPLES.mddoc · 26,872 bytesREPORT_TEMPLATE.mddoc · 7,438 bytesSKILL.mdcore · 14,758 bytesSKILL.mdcore · 14,758 bytesSKILL.mdcore · 14,758 bytesSKILL.mdcore · 14,758 bytesTOOLS_REFERENCE.mddoc · 30,549 bytesWORKFLOW_DETAILS.mddoc · 20,025 bytes
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# 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