Systems and methods for automated quality control of polymer synthesis

A method of evaluating synthesis of a plurality of desired polymer species, wherein a plurality of separation records for polymer synthesis reaction products are provided and wherein each of the separation records includes a baseline and at least one peak corresponding to the desired polymer species, comprising the automated steps of:

• (a) evaluating each of said baselines and optionally adjusting said baselines, thereby providing a plurality of baseline evaluated separation records;
• (b) identifying, in each of said baseline evaluated separation records, said at least one peak corresponding to said desired polymer species;
• (c) determining a quality metric for each of said desired polymer species based on a plurality of parameters of each of said baseline evaluated separation records, said parameters comprising signal-to-noise of said at least one peak, and retention of said at least one peak;
• (d) determining coupling efficiency for each of said desired polymer species;
• and
• (e) selecting at least one treatment from a plurality of alternative treatments for each of said desired polymer species, wherein said at least one treatment is selected based on said quality metric and said coupling efficiency, wherein said plurality of alternative treatments are correlated with different quality metrics and coupling efficiencies.

An automated laboratory information management system, comprising at least one signal detector configured to detect a polymer synthesis reaction product, at least one computer processing unit and at least one instrument configured to treat a desired polymer species,

• wherein said at least one signal detector is configured to communicate a separation record for said reaction product to said at least one computer processing unit,
• wherein said at least one computer processing unit is configured to control a function of said at least one instrument, and
• wherein said at least one computer processing unit comprises commands for:
• (a) obtaining said separation record from said at least one signal detector;
• (b) evaluating the baseline for said separation record and optionally adjusting the baseline, thereby providing a baseline evaluated separation record;
• (c) identifying at least one peak of said baseline evaluated separation record corresponding to said desired polymer species;
• (d) determining a quality metric for said desired polymer species based on a plurality of parameters of said baseline evaluated separation record, said parameters comprising signal-to-noise of said at least one peak, and retention of said at least one peak;
• (e) determining coupling efficiency for said desired polymer species;
• (f) selecting at least one treatment from a plurality of alternative treatments for said desired polymer species, wherein said at least one treatment is selected based on said quality metric and said coupling efficiency, wherein said plurality of alternative treatments are correlated with different quality metrics and coupling efficiencies;
• and
• (g) directing said instrument to perform said at least one treatment.