Evidence Insight
medchem
Medicinal chemistry screening filters for compound prioritization; use when you need to apply drug-likeness rules, PAINS/structural alerts, and complexity metrics to triage or optimize libraries.
87100Total Score
Core Capability
87 / 100
Functional Suitability
11 / 12
Reliability
10 / 12
Performance & Context
8 / 8
Agent Usability
14 / 16
Human Usability
8 / 8
Security
9 / 12
Maintainability
10 / 12
Agent-Specific
17 / 20
Medical Task
20 / 20 Passed
92Screening large compound libraries to quickly triage for drug-like candidates (e.g., Lipinski/Veber + alerts)
4/4
88Flagging problematic chemotypes (e.g., PAINS, reactive/toxicophores, curated structural alerts) before follow-up assays
4/4
86Drug-likeness and medchem rule sets: Lipinski (Ro5), Veber, Oprea, CNS, lead-like (soft/strict), Rule of Three, REOS, Golden Triangle, etc
4/4
86PAINS and structural alert filtering: curated alert catalogs and pattern-based screening
4/4
86End-to-end case for Drug-likeness and medchem rule sets: Lipinski (Ro5), Veber, Oprea, CNS, lead-like (soft/strict), Rule of Three, REOS, Golden Triangle, etc
4/4
Veto GatesRequired pass for any deployment consideration
Skill Veto✓ All 4 gates passed
✓
Operational Stability
System remains stable across varied inputs and edge cases
PASS✓
Structural Consistency
Output structure conforms to expected skill contract format
PASS✓
Result Determinism
Equivalent inputs produce semantically equivalent outputs
PASS✓
System Security
No prompt injection, data leakage, or unsafe tool use detected
PASSResearch Veto✅ PASS — Applicable
| Dimension | Result | Detail |
|---|---|---|
| Scientific Integrity | PASS | Scientific content remained anchored to fetched metadata or source-linked evidence in the legacy review. |
| Practice Boundaries | PASS | The legacy review kept this workflow on the evidence-access side of the boundary, not the advice-giving side. |
| Methodological Ground | PASS | No methodological-grounding issue was recorded for medchem in the archived evaluation. |
| Code Usability | PASS | The legacy evaluation did not preserve a usability failure in the packaged retrieval path. |
Core Capability87 / 100 — 8 Categories
Functional Suitability
The archived deduction in functional suitability traces back to: Improve stress-case output rigor. Stress and boundary scenarios show weaker consistency
11 / 12
92%
Reliability
Related legacy finding for medchem: Improve stress-case output rigor. Stress and boundary scenarios show weaker consistency
10 / 12
83%
Performance & Context
No point loss was recorded for performance context in the legacy audit.
8 / 8
100%
Agent Usability
A modest deduction remained in agent usability for medchem in the archived review.
14 / 16
88%
Human Usability
No point loss was recorded for human usability in the legacy audit.
8 / 8
100%
Security
The archived evaluation left some headroom for medchem under security.
9 / 12
75%
Maintainability
A modest deduction remained in maintainability for medchem in the archived review.
10 / 12
83%
Agent-Specific
Related legacy finding for medchem: Improve stress-case output rigor. Stress and boundary scenarios show weaker consistency
17 / 20
85%
Core Capability Total87 / 100
Medical TaskExecution Average: 87.6 / 100 — Assertions: 20/20 Passed
92
Canonical
Screening large compound libraries to quickly triage for drug-like candidates (e.g., Lipinski/Veber + alerts)
4/4 ✓
88
Variant A
Flagging problematic chemotypes (e.g., PAINS, reactive/toxicophores, curated structural alerts) before follow-up assays
4/4 ✓
86
Edge
Drug-likeness and medchem rule sets: Lipinski (Ro5), Veber, Oprea, CNS, lead-like (soft/strict), Rule of Three, REOS, Golden Triangle, etc
4/4 ✓
86
Variant B
PAINS and structural alert filtering: curated alert catalogs and pattern-based screening
4/4 ✓
86
Stress
End-to-end case for Drug-likeness and medchem rule sets: Lipinski (Ro5), Veber, Oprea, CNS, lead-like (soft/strict), Rule of Three, REOS, Golden Triangle, etc
4/4 ✓
92
Canonical✅ Pass
Screening large compound libraries to quickly triage for drug-like candidates (e.g., Lipinski/Veber + alerts)
Screening large compound libraries to quickly triage for drug-like... was evaluated as a bounded documentation path, not as a runnable script workflow.
Basic 36/40|Specialized 56/60|Total 92/100
✅A1The medchem output structure matches the documented deliverable
✅A2The instruction path remains actionable for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
88
Variant A✅ Pass
Flagging problematic chemotypes (e.g., PAINS, reactive/toxicophores, curated structural alerts) before follow-up assays
Flagging problematic chemotypes (e.g., PAINS,... was evaluated as a bounded documentation path, not as a runnable script workflow.
Basic 34/40|Specialized 54/60|Total 88/100
✅A1The medchem output structure matches the documented deliverable
✅A2The instruction path remains actionable for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
86
Edge✅ Pass
Drug-likeness and medchem rule sets: Lipinski (Ro5), Veber, Oprea, CNS, lead-like (soft/strict), Rule of Three, REOS, Golden Triangle, etc
This edge case stayed inside the documented workflow and remained instruction-led.
Basic 33/40|Specialized 53/60|Total 86/100
✅A1The medchem output structure matches the documented deliverable
✅A2The instruction path remains actionable for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
86
Variant B✅ Pass
PAINS and structural alert filtering: curated alert catalogs and pattern-based screening
PAINS and structural alert filtering: curated alert catalogs and... was evaluated as a bounded documentation path, not as a runnable script workflow.
Basic 32/40|Specialized 54/60|Total 86/100
✅A1The medchem output structure matches the documented deliverable
✅A2The instruction path remains actionable for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
86
Stress✅ Pass
End-to-end case for Drug-likeness and medchem rule sets: Lipinski (Ro5), Veber, Oprea, CNS, lead-like (soft/strict), Rule of Three, REOS, Golden Triangle, etc
This stress case stayed inside the documented workflow and remained instruction-led.
Basic 29/40|Specialized 57/60|Total 86/100
✅A1The medchem output structure matches the documented deliverable
✅A2The instruction path remains actionable for the documented case
✅A3The output stays fully within the documented skill boundary
✅A4The response quality is acceptable for the documented path
Pass rate: 4 / 4
Medical Task Total87.6 / 100
Key Strengths
- Primary routing is Evidence Insight with execution mode B
- Static quality score is 87/100 and dynamic average is 79.6/100
- Assertions and command execution outcomes are recorded per input for human review
- Execution verification summary: Script verification 0/1; adjustment=0. filter_molecules.py: rc=1