chembl-bioactivity
CommunityMine ChEMBL bioactivity for SAR insights.
Authorxjtulyc
Version1.0.0
Installs0
System Documentation
What problem does it solve?
It helps you retrieve and analyze ChEMBL bioactivity measurements (such as IC50, Ki, and pChEMBL) so you can build clean SAR datasets and interpret structure–activity relationships without manual scraping.
Core Features & Use Cases
- Target lookup & selection: Find ChEMBL targets by keyword (e.g., a gene/protein synonym) and filter to a relevant organism/target type.
- Bioactivity retrieval: Pull activity records for a chosen target, focusing on standard types (IC50/Ki/Kd) and optionally filtering by minimum pChEMBL.
- SAR analysis & visualization: Compute activity distributions and generate quick SAR-ready tables (including RDKit descriptors) and correlation plots; also supports activity-cliff detection using structural similarity plus potency gaps.
Quick Start
Use this Skill to query ChEMBL for EGFR (CHEMBL203) IC50 and Ki bioactivity, standardize values to pChEMBL, and output a dataset plus an SAR summary table for downstream QSAR modeling.
Dependency Matrix
Required Modules
chembl-webresource-clientpandasmatplotlibnumpyrdkitseaborn
Components
Standard package💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: chembl-bioactivity Download link: https://github.com/xjtulyc/awesome-rosetta-skills/archive/main.zip#chembl-bioactivity Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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