⌬ JeeChemSage.AI

A Visual Chemistry Tutor for IIT-JEE Aspirants

JeeChemSage.AI is an interactive chemistry learning tool built to help students master organic reaction mechanisms for competitive exams like the IIT-JEE. Designed with high school learners in mind, the app visually breaks down complex reactions, identifies functional groups, predicts reaction classes, and even tests your understanding with MCQs — all within a clean Streamlit interface.

---

📸 Live Demo

🧬 Try the app (Streamlit link)

Application Screenshots

Features

1. Smart Reaction Parsing

• Accepts custom or sample organic reactions like ethyl bromide + KOH -> ethene + HBr
• Automatically translates IUPAC/common names to SMILES using RDKit and PubChem fallback
• Parses reactants/products using custom jee_parser.py

2. Reaction Classification

• Identifies reaction mechanism (e.g., E2, SN1, SN2, etc.)
• Detects key functional groups (alcohols, alkyl halides, amines, ethers, etc.)
• Displays both ML-predicted reaction class and rule-based interpretation

3. Molecular Properties (Reactants & Products)

• Molecular weight
• LogP
• Hydrogen donors/acceptors
• Topological Polar Surface Area (TPSA)
• Rotatable bonds

4. Mechanism Explanation (ELI15 Mode)

• Option to "Explain like I’m 15" for each predicted mechanism
• Helps beginners understand the why behind each transformation
• Example:

  “Imagine a Lego model where you pull off one brick (hydrogen) and another (Br) pops off at the same time...”

5. Visual Mechanism Diagrams

• Loads mechanism-specific PNG diagrams from assets/mechanisms/ (like e2.png, sn2.png)
• Visual walkthrough of how bonds break and form

6. "Test Yourself" MCQs

• Auto-generates multiple-choice questions based on the input reaction
• Provides immediate feedback on correctness
• Covers mechanism identification, byproducts, nucleophile/electrophile roles, etc.

7. Reaction History Sidebar

• Easily re-run or revisit previous inputs via clickable buttons in the sidebar

---

🛠 Tech Stack

Tool	Use
Python 3.10+	Core application logic
Streamlit	Frontend + UI rendering
RDKit	Chemistry parsing, SMILES, and drawings
PubChemPy	Backup molecular name resolution
Pillow/3Dmol.js	2D and 3D Molecule Visualization

---

Project Structure

JeeChemSage.AI/
│
├── app/
│   └── streamlit_app.py         # Main app interface
│
├── core/                        # Core logic modules
│   ├── jee_parser.py            # Reaction parser
│   ├── name_to_smiles.py        # Name to SMILES resolver (RDKit + PubChem fallback)
│   ├── properties.py            # Molecular property calculator
│   ├── reaction_classifier.py   # Rule-based reaction classification
│   ├── functional_groups.py     # SMARTS pattern detection
│   ├── mechanism_visuals.py     # Mechanism image resolver
│   └── mcq_generator.py         # MCQ generator
│
├── assets/
│   └── mechanisms/              # PNG diagrams (e.g., e2.png, sn1.png)
│
└── README.md

Sample Reactions:

• reaction: "ethyl bromide + KOH -> ethene + HBr" type: "E2 Elimination"
• reaction: "tert-butyl bromide + H2O -> tert-butyl alcohol + HBr" type: "SN1"
• reaction: "ethanol + H2SO4 -> ethene + H2O" type: "E1"
• reaction: "benzamide + Br2 + KOH -> aniline + KBr + CO2" type: "Hoffmann Rearrangement"

Future Ideas:

• "ML-powered reaction classification (currently rule-based fallback)"
• "Intelligent MCQ difficulty levels"
• "Integration with NCERT & Allen chemistry syllabus"
• "Voice input (e.g., via Whisper API)"
• "Online hosting via Streamlit Cloud or Hugging Face Spaces"

Installation:

  - step: Clone the repository
    command: "git clone https://github.com/yourusername/JeeChemSage.AI.git"
  - step: Navigate into the project directory
    command: "cd JeeChemSage.AI"
  - step: Install dependencies (recommended inside a virtual environment)
    command: "pip install -r requirements.txt"
  - step: Run the Streamlit app
    command: "streamlit run app/streamlit_app.py"
  - tip: "If you see RDKit or SMILES parsing errors, make sure you’ve installed RDKit correctly"
    command: "conda install -c rdkit rdkit"

Tagline: "For students, by a student."