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chembl-database

8.3

by K-Dense-AI

161Favorites
385Upvotes
0Downvotes

Query ChEMBL bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.

drug-discovery

8.3

Rating

0

Installs

Data & Analytics

Category

Quick Review

Exceptional skill for ChEMBL database queries in drug discovery. The description clearly conveys capabilities for compound searches, bioactivity data retrieval, and structure-based queries that enable a CLI agent to invoke appropriately. Task knowledge is comprehensive with detailed code examples, complete workflows (finding inhibitors, SAR studies, drug analysis), filter operators, and performance optimization guidance. Structure is excellent with logical organization, clear sections, and appropriate delegation to referenced files (example_queries.py, api_reference.md). Novelty is high—querying a specialized biomedical database with structure similarity searches, bioactivity filtering, and multi-step SAR workflows would require significant tokens and domain expertise for a CLI agent alone. This skill meaningfully reduces complexity for medicinal chemistry tasks. Minor improvement possible in making the description even more concise for quick agent parsing, but overall quality is outstanding.

LLM Signals

Description coverage9
Task knowledge10
Structure9
Novelty9

GitHub Signals

6,871
818
49
3
Last commit 1 days ago

Publisher

K-Dense-AI

K-Dense-AI

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