Skip to main content

SmartAdd

SmartAdd is a web-based companion for Chemotion that helps researchers import, organize, and prepare chemical data before sending it into Chemotion. Instead of wrestling with complex file structures or scattered files, SmartAdd gives you a clear, visual tree view to curate your collection.

Overview​

SmartAdd streamlines the process of preparing research data for the Chemotion ELN. With its intuitive drag-and-drop interface and visual tree editor, you can quickly organize samples, reactions, and analytical data before exporting to Chemotion.

Key Features​

  • 📤 Easy Upload: Drag & drop files or ZIP archives
  • 🌳 Visual Tree View: See your data organized hierarchically
  • ✏️ Inline Editing: Edit sample, reaction, and analysis properties directly
  • 🔗 Multi-Sample Reaction Support: Add multiple samples to reactions with automatic smart sorting
  • ✅ SMILES Validation: Real-time molecular structure validation and syntax checking
  • 🚀 Direct Chemotion Integration: Upload directly to your Chemotion ELN server without manual downloads
  • 📊 Dataset Management: Control which datasets are included or excluded from export
  • 📦 Export Ready: Generate Chemotion-compatible ZIP files or upload directly
  • 🌐 No Installation: Runs entirely in your browser

Complete Tutorial Video​

YouTube will track your interaction with them.

Why Use SmartAdd?​

Before SmartAdd​

Working with chemical research data often means:

  • 📂 Hours spent organizing scattered files
  • ⏰ Manual entry of sample/reaction information
  • 📈 Steep learning curve for new users
  • ❌ Higher risk of errors during import

With SmartAdd​

SmartAdd provides:

  • ✅ Drag & Drop: Organize files in minutes
  • ✅ Visual Organization: Tree view clearly shows collection structure
  • ✅ Inline Editing: Edit samples, reactions, and analyses directly
  • ✅ Export-Ready Data: Prepare data for Chemotion effortlessly
  • ✅ Smart Validation: SMILES notation and mol file validation along with dataset management
  • ✅ Direct Upload: Connect directly to Chemotion ELN server

Documentation​

Explore detailed guides for using SmartAdd:

🚀 Getting Started​

Learn the basics: requirements, first upload, interface overview, and your first export.

📋 Complete Workflow​

Step-by-step guide from uploading data to importing into Chemotion, including property editing and organization strategies.

💡 Tips & Best Practices​

Optimize your workflow with proven practices for file organization, naming conventions, and quality control.

🔧 Troubleshooting​

Solutions to common issues with uploads, editing, exports, and performance.

Quick Start​

New to SmartAdd? Follow these steps:

  1. Upload Files: Drag & drop your ZIP archive or individual files—they appear in the input list
  2. Create Structure: Use "Add Sample" and "Add Reaction" buttons to build your collection manually
  3. Assign Files: Drag files from the input list (left) to samples/analyses in the tree (right)
  4. Edit Properties: Click nodes to edit sample/reaction properties, validate SMILES, assign roles
  5. Export: Download as ZIP or upload directly to Chemotion ELN
tip

Watch the complete tutorial video above for a visual walkthrough of the entire process.

Interface Overview​

📥 Left Panel - Import & Actions​

  • Upload Area: Drag files or ZIP archives here
  • Upload Progress: Track processing status
  • Action Buttons: Clear Input tree(files) & clear Assignment tree(reactions, samples tree)
  • Drag analytical files or ZIP archives
  • Use action buttons to add entities
  • Click Clear to reset workspace

🌳 Right Workspace - Tree View & Editor (Data Preparation)​

  • Action Buttons: Add Sample, Add Reaction and Download as ZIP
  • Tree View: Hierarchical display of collections (samples, reactions, analyses)
  • Clickable Nodes: Select items to view/edit properties
  • Properties Editor: Edit selected item details
  • Expand/collapse nodes to explore hierarchy
  • Select a node to edit its properties
  • Changes save instantly (No need to update button)

Supported Data Types​

SmartAdd works with various chemical data formats:

  • Structure Files: MOL, CDX
  • Archives: ZIP files containing organized datasets
  • Metadata: Text files with experimental details

What's Coming Next?​

SmartAdd is actively developed with new features on the horizon:

  • 🔍 Tree View Enhancements: Increase tab width for improved navigation and visibility
  • ⚡ Direct Import: Chemotion integration with secure login and seamless upload functionality
  • 🛡️ Structure Editor: Integrated molecular structure editor for creating and importing MOL files directly within SmartAdd
  • 📄 Chemscanner Integration: Automated chemical data extraction from scientific literature and documents
  • 📦 ZIP Import Support: Import Chemotion-exported ZIP archives with export.json metadata
  • ✍️ Rich Text Editor: Quill integration for enhanced text formatting in descriptions and notes
  • 🌐 Excel template processing: Import Excel spreadsheets with experimental data to auto-generate complete collection hierarchies

Need Help?​

  • 📖 Documentation: Browse the guides in the sidebar
  • 🎥 Video Tutorial: Watch the complete tutorial above
  • ❓ FAQ: Check common questions in the Troubleshooting guide
  • 💬 Support: Contact the Chemotion team for assistance