To interpret our model, we further analyze the random forest regression results using SHAP (Shapley Additive exPlanations)35, a generalized metric for feature importance, which utilizes the game-theory-based Shapley values to calculate the contribution of each feature to the model’s output. SHAP in...
If you were to take an IR of caffeine, what distinguishing peaks would you expect? Give their approximate locations. Where in the infrared spectrum would you expect the mentioned compound to absorb? Why does the dimethyl ketal of benzil not...
Explore photoelectron spectroscopy and its working principles. Understand how to interpret the PES graphs in terms of the material's electronic structure. Related to this QuestionDescribe how the atomic emission spectrum of hydrogen has developed our unde...
Related to this QuestionTell how IR spectroscopy could be used to determine when the given reaction is complete. How could you use IR spectroscopy to determine if the following reactions had been successful? List what important peaks you would expect to see in the ...