The discovery of fragrance ingredients is driven by design and synthesis approaches that are similar to those practiced by medicinal chemists. There are contrasts, however, including the nature of the chemical reactions typically employed, the size of the resulting molecules, and the manner in which molecules are assessed and selected for further development. With new feedstocks emerging based on renewable sources, there is interest in improving our ability to objectively assess the new molecules potentially accessible and ensure efficient exploitation of the chemical space afforded. We will describe our efforts to adapt commercial software to allow rapid assessment of the breadth of opportunity afforded by new or existing feedstocks.

Fast exploration of feedstocks using chemical transformation-based libraries for fragrance ingredient research

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ACS Spring 2023

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