📊 SFPPySt: Interactive Tools for Food Contact Assessment using Streamlit

	This Streamlit app extends the Generative Simulation initiative	Say it. Simulate it with AI.

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🍏⏩🍎 SFPPy: A Python Framework for Food Contact Compliance & Risk Assessment

🚀 SFPPy-St: Streamlit-powered SFPPy Tools

Fast, interactive graphical interfaces for SFPPy — built with Streamlit, deployed server-side or locally:

• 🧪 Substance query and toxicological summary via migrantToxtree
• 🧬 Display of EU, US, and CN regulatory data for ~1300 known substances
• 🧾 Live PubChem queries (structure, synonyms, InChIKey, SMILES, etc.)
• 💡 Designed to complement SFPPyLite with full toxicological support (e.g. ToxTree)

(click the badge to launch the app.)

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🎯 Key Differences from SFPPyLite

Feature	SFPPy-St (Streamlit)	SFPPyLite (JupyterLite)
PubChem Support	Server-side Python with full loadpubchem support for not documented substances	In-browser Python (Pyodide/WASM), loadpubchem cannot cache new substances
ToxTree Support	✅ Full support for Cramer classification, alerts, TTC if installed locally. ⚠️ Support for cached substances only with the on line server (no JVM on Streamlit servers).	⚠️ Support for cached substances (Java dependency)
Interactivity	GUI forms, dropdowns, live search	Jupyter notebook UI
Performance	Native Python speed	~2x slower (WebAssembly overhead)
Persistence	✅ if user-local, ❌ with Streamlit	In-browser (IndexedDB) with 📥📤
Deployable	Yes (locally or on a web server)	Yes (static website)
Mobile ready	✅ (Streamlit is responsive)	✅ (Lite runs in-browser)
Launching time	<5 s if user-local, < 2 min with Streamlit	<10 s

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🛠 Features in SFPPy-St

• 🔍 Search substances using name, CAS, or synonyms
• 📊 Visualize Cramer class, TTC values, and alerts
• 🧾 Access regulatory frameworks from EU, FDA, and China
• 🖼 View PubChem structure images with size control and auto-rotation
• 📈 Ready for deployment with streamlit run app.py

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🧪 Launch SFPPy-St (Local)

1. Install Streamlit (if not already):

conda install -c conda-forge streamlit

2. Run the app:

streamlit run search_substance.py

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🍏⏩🍎 Related Projects

• SFPPy: Full-featured desktop framework with simulation, fitting, compliance rules
• SFPPyLite: Lightweight browser version of SFPPy for notebooks, without JVM dependencies
• SFPPy-St: This repo — GUI-friendly version of SFPPy for toxicological exploration

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💡 Why Streamlit?

• ⚡ Rapid GUI prototyping
• 📦 No frontend code needed
• 🌍 Ideal for demonstration, education, or deployment
• 📜 Fully compatible with SFPPy codebase

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📬 Feedback

💬 Found a bug or want to suggest a tool? Open an issue or email the author.

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📁 Project

Core tools and databases are located in patankar/. Do not rename this folder.

SFPPySt/
├── search_substance.py      # Main app file (Streamlit)
├── patankar/                # Optional: grouped apps
    ├── private/             # private modules and databases shipped with SFPPy
    ├── cache.PubChem/       # Pubchem cache 
    ├── cache.ToxTree/       # ToxTree cache
    └── loadpubchem.py       # substance manager connected to PubChem
    └── geometry.py          # packaging geometry module
    └── food.py              # food module
    └── layer.py             # polymer/material module
    └── migration.py         # mass transfer solver
    └── property.py          # transfport/thermodynamic module
    └── useroverride.py      # user override
├── requirements.txt         # (for pip)
├── environment.yml          # (for conda)
├── README.md                # this file
└── LICENSE.md               # MIT License

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🧰 Powered by

• Streamlit
• SFPPy
• PubChem
• Pillow for structure image manipulation