Hello All,
I wanted to share with you all my project that I am working on here at Centre. During my time as a student, I have learned how long it can take to look up one literature spectrum to see if it is a potential contaminant within an obtained spectrum. For this, I have created a Java program that can access a database, retrieve the pertinent signal values, and then graph them on a plot to allow you to see where they are. Currently the program does work with hydrogen NMR, but I plan to expand this to carbon NMR as well.
Here is a current list of to-dos for the program.
1. Allow the program to work with Carbon NMR
2. Determine why certain InCHIs will not work with the database.
3. Find a better graphing system than the normal JFrame/JPanel system that I am using for Java.
4. Automate the InCHI input process by allowing the user to enter the common name of the compound they are seeking.