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

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

Notebook

• Load Data
• Mordred and Morgan
• 3rd Party Embeddings
• PCA and VCD (Could delete since there were no matches)
• Liyah, stop here. I can explain what I am doing in the next section another time.