Evaluating the Confidence of Metabolite Rankings in NMR Metabolomics Data

The proposed project is for the intern to develop an algorithm to decide on the suitability of a group of chemical compounds to transfer from one detection instrument (low throughput) to another detection instrument (high throughput). For ease of use and cost considerations it is preferable for these chemical compounds to measured using a high throughput instrument. The company has validated a set of compounds on the low throughput instrument and would like to transfer these to a high throughput instrument. The value to the company is that experimentation is expensive and time consuming and the number of compounds the company is analyzing is large. If an algorithm can be developed to identify (prior to experimentation) which chemical compounds will have a higher chance of success, this will lower the cost and will speed up the time for the company to get its product to market.

Sheehan Khan
Faculty Supervisor: 
Russell Greiner
Project Year: