Predicting Odor Divergence of Enantiomers

Much is known about sound. Much is known about visualization. What about olfaction?

I worked on this project while a part of the ICON Lab at Arizona State Unversity as part of my Honor’s thesis.

Background

• Chirality
• Enantiomers
• Odor Divergence

Research Project

• Predicting Odor Divergence
• Previous Approach
• New Approach - Structural Features
• Detection Threshold
• Support Vector Regression
• Conclusion

Notebooks With Code

• Load Data
• Mordred and Morgan
• 3rd Party Embeddings
• Testing with PCA and VCD Features