cheminformatics

What I do

• Apply computational methods to chemical data analysis
• Design and search chemical databases
• Predict molecular properties and reactivity
• Perform molecular similarity analysis
• Develop quantitative structure-activity relationships (QSAR)
• Visualize and analyze chemical structures

When to use me

• When searching chemical databases
• When predicting molecular properties
• When building QSAR/QSPR models
• When analyzing molecular similarity
• When virtual screening compounds
• When managing chemical data

Key Concepts