Links to:Morning Session, Poster Session, Afternoon Session
Dr Sam Peel, International Flavors and Frangrances, Hilversum, The Netherlands - Introduction to Sessions II
Dr Alex Clark, Collaborative Drug Discovery (Canada) & Leah Rae McEwan, Cornell University/IUPAC - Mixtures: informatics for formulations and consumer products
Presentation - pdf
We will describe a new standard for capturing the composition of mixtures in a machine readable hierarchical form. The existence of such datastructures alongside an ecosystem of data and tools allows the substances of consumer products, drug formulations, benchtop chemistry and many other industries to be used for informatics studies. This is analogous to the way that cheminformatics and bioinformatics have had a major impact on the pharmaceutical industry, allowing the leveraging of large databases for exploratory research. We will show some examples of how such tools can make a difference to formulations R&D.
Q&A:
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.
Q&A:
Dr Tom Rodgers, The University of Manchester, UK - Introduction to Session III
Debra Fearnshaw and Dr Nicholas Watson, University of Nottingham - Connected Everything Network+ and digital technologies for intelligent process monitoring
Presentation - pdf
Dr Nik Watson and Debra Fearnshaw will introduce the Connected Everything Network+ and describe recent developments in digital technologies for intelligent process monitoring.
Q&A:
Panel Discussions on Formulation 4.0
Moderator - Dr Tom Rodger, The University of Manchester
Panelists:
Dr Alex Clark, Collaborative Drug Discovery (Canada)
Dr Maria Jimenez-Solomon, Unilever
Dr Breanndán Ó Conchúir, IBM Research
Dr Mark Taylor, Centre for Process Integration
Dr Shyam Vyas, International Flavours and Fragrances
Dr Nicholas Watson, University of Nottingham
Organisers
