Case Study 2 — Process Chemistry
Outline
Section titled “Outline”- Customer profile
- Challenge: manual reaction screening
- Solution: Bayesian optimization with regulatory constraints
- Result: fewer experiments, higher yield, impurity below threshold
- Quote from process chemistry lead
Evidence to collect
Section titled “Evidence to collect”- Baseline number of experiments per optimization campaign.
- Time from campaign start to selected condition before MolTrace.
- Number of MolTrace iterations to reach the accepted condition.
- Yield, selectivity, impurity, and safety constraints before and after.
- Decision points where the chemist accepted, modified, or rejected recommendations.
The process chemistry lead must approve every metric and quote before publication.