Design of Experiments (DoE) and Process Optimization. A Review of Recent Publications

TL;DR: In this article, the authors present a review of the application of machine learning techniques to metal-organic frameworks (MOFs) in the field of gas storage and separation, the stability of these materials, their electronic properties, and their synthesis.

TL;DR: The development of a recently initiated program that unites optimization with mechanistic interrogation by correlating reaction outputs with structural descriptors of the molecules involved, which constitutes a modern approach to physical organic chemistry wherein no data are wasted and mechanistic hypotheses regarding sophisticated processes can be developed and probed.

TL;DR: The development of an intuitive, standardized presentation of the results in a radar diagram enables the sensitivity of a protocol to be rapidly assessed and will help to increase the uptake of new synthetic methods and their reproducibility.

TL;DR: Design of Experiments (DoE) is ideally suited for multivariable analyses: by planning one's experiments as per the principles of DoE, one can test and optimize several variables simultaneously, thus accelerating the process of discovery and optimization while saving time and precious laboratory resources.

TL;DR: In this article, a statistical design of experiments (DOEDOE) was used to rapidly optimize Red-Al reduction of an imide to produce, after deprotection and salt formation, 3,4-isopropylidenedioxypyrrolidine hydrotosylate (1), an intermediate in the synthesis of Ingliforib.

TL;DR: Polymorphism is characterized as the ability of a drug substance to exist as two or more crystalline phases that have different arrangements and/or conformations of the molecules in the crystal lattice as discussed by the authors.

TL;DR: In this paper, the impact of several new technologies on the development of a manufacturing process for LY518674 is described, and extensive use of process analytical technology throughout development, both at laboratory and pilot-plant scale, enabled data-rich experiments, shortened development cycle times, and obviated the requirement of PAT for process control at larger scale.

TL;DR: In this paper, a convergent process for the large-scale preparation of sulopenem was proposed, where cyclization of an oxalimide intermediate was used to provide the thiopenem core.