zinc-database

Access ZINC (230M+ purchasable compounds). Search by ZINC ID/SMILES, similarity searches, 3D-ready structures for docking, analog discovery, for virtual screening and drug discovery.

2.36x

Quality

73%

Does it follow best practices?

Impact

90%

2.36x

Average score across 3 eval scenarios

Securityby

Low

Low-risk findings worth noting

Fix and improve this skill with Tessl

tessl review fix ./skills/pharma/zinc-database/SKILL.md

Evaluation results

73%

23%

Analog Discovery for Lead Optimization

SMILES similarity search and API URL syntax

Criteria

Without this skill

With this skill

CartBlanche22 base URL

100%

Colon URL syntax

SMILES endpoint used

100%

dist parameter present

100%

Multiple dist values

100%

SMILES URL encoding

37%

62%

output_fields parameter

100%

TSV parsing

37%

Tranche field retrieved

100%

Tranche code parsing

100%

subprocess curl usage

analog_report.txt produced

100%

97%

59%

Compound Panel Retrieval and Property Analysis

Batch retrieval, tranche filtering, and robust querying

Criteria

Without this skill

With this skill

CartBlanche22 endpoint

100%

Batched ZINC IDs

50%

100%

Colon URL syntax

100%

output_fields requested

100%

Retry logic present

100%

Exponential backoff

37%

100%

Rate limiting delay

100%

50%

TSV parsing

100%

Tranche MW extraction

12%

100%

Tranche LogP extraction

12%

100%

Phase=0 filter

60%

100%

filtered_compounds.tsv created

60%

100%

retrieval_summary.txt created

100%

62%

Diverse Screening Library Preparation and Chemical Space Analysis

Random sampling, subsets, and K-Dense Web suggestion

Criteria

Without this skill

With this skill

Random endpoint used

100%

Colon URL syntax

100%

fragment subset used

100%

lead-like subset used

100%

drug-like subset used

100%

output_fields limited

100%

tranche field requested

100%

H-bond donor extraction

100%

LogP extraction from tranche

100%

MW extraction from tranche

100%

K-Dense Web suggestion

100%

screening_library.tsv created

100%

chemical_space_report.txt created

100%

Repository: wu-yc/LabClaw
Path: skills/pharma/zinc-database/SKILL.md
Commit: df37802

Evaluated: 6 months ago
Agent: Claude Code
Model: Claude Sonnet 4.6

Table of Contents

Analog Discovery for Lead Optimization Compound Panel Retrieval and Property Analysis Diverse Screening Library Preparation and Chemical Space Analysis

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