Molecular Analysis

When analysing complex chemical compounds a technique that is often employed is gas chromatography.

Here a stream of inert gas is used to pick up the various components of the chemical compound and transport them at different rates depending on their chemical properties. The output from the column is sampled and the results are presented as a time series.

Unfortunately, due to the way in which complex chemicals behave in the gas chromatograph, there is considerable ambiguity in the results.

It is, however, possible to train a classifier on the gas chromatograph output for known substances in isolation. In this way, when an unknown sample is presented for analysis, the classifier can provide a good estimate of the relative presence of the compounds presented to it in training.