Dr Shyam Vyas, International Flavors and Fragrances - Modelling Mixtures @IFF: Using computers to build better formulations

Presentation - pdf

The presentation provides a short overview of the Data and Analytics team at IFF and how we have used computational approaches to study mixtures.  In particular, we provide an example of how the COSMO-RS methodology was used to predict mixture flashpoints, and how the method was made accessible to non-experts via a web port.