compchem-rdkit-analog
CommunityBuild RDKit opioid analog libraries.
Authorwuyoscar
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill automates the construction of an opioid-analog molecular library from validated SMILES, allowing researchers to generate RDKit-ready catalogs with computed descriptors and SDF export for toxicology workflows.
Core Features & Use Cases
- RDKit-based validation and descriptor computation for opioid analogs from SMILES
- SDF generation with embedded metadata (potency, ld50, mechanism, etc.)
- Use Case: Forensic toxicology teams can rapidly assemble a curated library of opioid analogs for screening and pharmacology studies.
Quick Start
Run the RDKit analog builder on the provided SMILES dataset to produce a validated SDF library ready for docking and pharmacology annotation.
Dependency Matrix
Required Modules
None requiredComponents
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: compchem-rdkit-analog Download link: https://github.com/wuyoscar/ISC-Bench/archive/main.zip#compchem-rdkit-analog Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
Agent Skills Search Helper
Install a tiny helper to your Agent, search and equip skill from 471,000+ vetted skills library on demand.