Loading Files

The file loading feature in ChemXploreML allows you to import molecular data for analysis and processing.

File Loading Process

Step 1: Initial File Selection

To begin loading a file:

1. Click on the "Load File" button in the main interface
2. Navigate to your molecular data file
3. Select the file and click "Open"

Step 2: File Processing

Once a file is selected:

1. The application will process the file
2. A progress indicator will show the loading status
3. The file contents will be validated

Analysis Results

After loading, the application provides comprehensive analysis of your molecular data:

Overview

The analysis view shows:

• Basic molecular properties
• Data statistics
• Available features for further analysis

Detailed Plots

The application generates various plots to help visualize your data:

These plots provide insights into:

• Molecular distributions
• Feature relationships
• Data patterns
• Statistical properties

Supported File Formats

ChemXploreML supports various molecular file formats:

• SDF (Structure Data File)
• SMILES (Simplified Molecular Input Line Entry System)
• CSV files with molecular data
• Other common chemical file formats

Next Steps

After loading your file, you can:

1. Perform molecular analysis
2. Generate molecular embeddings
3. Apply dimensionality reduction
4. Train machine learning models

For more information about these features, please refer to their respective documentation sections.