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Description
When specific reagents are discontinued or out of stock, find validated alternatives based on literature citation data.
This Skill analyzes reagent usage data from scientific literature to identify alternative reagents that have been repeatedly validated and widely cited, helping researchers quickly find reliable alternatives when the original reagent is unavailable.
Features
🔍 Reagent Identification: Parse reagent names, CAS numbers, molecular formulas, and other multi-dimensional information
📚 Literature Analysis: Based on citation data from PubMed, Google Scholar, and other databases
✅ Validation Scoring: Calculate usage frequency, success rate, and reliability scores for alternatives
🔄 Similarity Matching: Find similar reagents based on chemical structure and functional characteristics
📊 Report Generation: Output structured alternative solution reports
Usage
Basic Usage
# Query alternatives for a specific reagent
python skills/reagent-substitute-scout/scripts/main.py --reagent "TRIzol Reagent"
# Query by CAS number
python skills/reagent-substitute-scout/scripts/main.py --cas "15596-18-2"
# Query by molecular formula
python skills/reagent-substitute-scout/scripts/main.py --formula "C17H34N2O6P"
Advanced Options
# Specify output format
python skills/reagent-substitute-scout/scripts/main.py --reagent "TRIzol" --format json
# Limit result count
python skills/reagent-substitute-scout/scripts/main.py --reagent "TRIzol" --limit 10
# Specify application field filter
python skills/reagent-substitute-scout/scripts/main.py --reagent "TRIzol" --field "RNA extraction"
# Include detailed literature citations
python skills/reagent-substitute-scout/scripts/main.py --reagent "TRIzol" --verbose
{"query":{"reagent":"TRIzol Reagent","cas":"15596-18-2"},"results":[{"name":"QIAzol Lysis Reagent","cas":"104888-69-9","molecular_formula":"C17H34N2O6P","similarity_score":0.92,"citation_count":2341,"reliability_score":4.8,"validated_applications":["RNA extraction","tissue homogenization"],"literature_evidence":[{"pmid":"30212345","title":"Comparison of RNA extraction methods","year":2019,"citation_count":156}]}]}
Data Sources
PubMed/NCBI - Biomedical literature database
Google Scholar - Academic citation data
ChEMBL - Bioactivity data
PubChem - Chemical structure information
Local Cache - Historical query results and offline data
Scoring Algorithm
Alternative scoring is based on the following dimensions:
Total Score = Citation Score × 0.4 + Recency Score × 0.3 + Similarity Score × 0.3
Where:
- Citation Score = log(citation count of this alternative) / log(max citation count)
- Recency Score = Proportion of citations in the last 5 years
- Similarity Score = Chemical structure similarity + functional characteristic match
Installation
# Install dependencies
pip install -r skills/reagent-substitute-scout/requirements.txt
# Configure API keys
cp skills/reagent-substitute-scout/config.example.json ~/.config/reagent-substitute-scout/config.json
# Edit configuration file and fill in API keys
Limitations
Literature data completeness depends on database API availability
Chemical structure similarity calculation requires RDKit support
Some specialized reagents may lack sufficient public literature data
It is recommended to combine with actual laboratory conditions to verify alternatives
