Advantages of Design of Experiments

Design of Experiments (DoE) is a statistical approach to reaction and process optimization that permits the variation of different factors simultaneously with the goal to screen the reaction space for optimum values.

In chemical development, Design of Experiments (DoE) has become a reference method to speed up reaction optimization, since it allows the assessment of a large number of reaction parameters in a small number of experiments. Over the last several years, DoE has been used for the implementation of Quality by Design (QbD) in R&D and manufacturing. In Pharmaceutical QbD, product and process understanding is critical for ensuring quality in the manufactured product.

The advantage of deploying Design of Experiments (DoE) in chemical development is that multiple input parameters, or "factors", such as temperature, raw material and concentration, can be assessed simultaneously to elucidate the conditions at which the product attributes, or "responses", such as yield, selectivity and impurity level, reach an optimum value.

Since DoE studies usually require fewer experimental repetitions, DoE can result in:

·      Better process understanding in less time

·      Shorter development cycles in manufacturing

 Below is a sample of Design of Experiments (DoE) in industry-related publications:

Lucks, Sandra, and Heiko Brunner. "In Situ Generated Palladium on Aluminum Phosphate as Catalytic System for the Preparation of β, β-Diarylated Olefins by Matsuda–Heck Reaction." Organic Process Research & Development 21.11 (2017): 1835-1842.

Monnaie, Didier, Lonza Peptide, Braine, "Fast and Effective Chemical Synthesis and Optimization Supported by Design of Experiments (DoE)" webinar METTLER TOLEDO, 2017.

Van der Eycken Francis, METTLER TOLEDO, "Innovative Techniques to Synthesize Breakthrough Molecules", Whitepaper (2015).

Georgakis, C. (2013). "Design of Dynamic Experiments: A Data-Driven Methodology for the Optimization of Time-Varying Processes." Industrial & Engineering Chemistry Research 52: 12369-12382.

P. M. Murray et al., "The application of design of experiments (DoE) reaction optimization and solvent selection in the development of new synthetic chemistry", Org. Biomol. Chem., 2016, 14 Pages, 2373-2384.

Design of Experiments (DoE) and Process Optimization. A Review of Recent Publications. Org. Process Res. Dev., 2015, 19 (11), pp 1605–1633