29 July 2020

Digital design of molecules and formulations

Organised by:

SCI and proudly supported by the Chemistry Council Innovation Committee

Online webinar - 14:00-15:30 (BST)

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Synopsis

At the start of any product development, the question of which chemicals/materials to use is always raised. The two approaches available are to look for a wholly new molecule, or to achieve the desired performance by combining several chemicals. Either route can now be carried out more thoroughly and quickly using digital systems. Computer models of molecules (on their own and in combination) enable the prediction of properties and chemical and biological activity. They have increased in sophistication and accuracy over the last few decades and the power of computers allow more precision and details in the models.

This will be the first webinar in a new series on digital design, which will explore the development journey for chemical products – focussing on the enabling technologies which are most critical for increasing productivity in chemistry-using businesses, both now and in the future.


Attendees

Attendance at this webinar series is welcomed from scientists and engineers in industry and academia with experience in developing and implementing digital solutions, as well as researchers and technology directors with an interest in leveraging new technologies to increase productivity in their organisation.


Speakers

Dr Antony Williams, Cheminformatician, US Environmental Protection Agency (EPA)

US-EPA Chemicals Dashboard and Applications to Digital Design of Molecules

The Chemicals Dashboard is a free web-based application from the United States Environmental Protection Agency that provides various types of data for ~900,000 chemicals. These data include physicochemical properties, in vivo and in vitro toxicity data and information regarding the presence of chemicals in commercial products, including formulation data where available. The dashboard allows for sourcing of data associated with singleton chemicals or a batch mode for downloading data for thousands of chemicals at a time. This presentation will provide an overview of the Dashboard, the myriad of data sources underpinning the application and potential applications of the dashboard.


Programme
14.00

Welcome and introduction
Dr Phil Souter, Associate Director, R&D Fabric & Home Care, P&G

14.05

Talk title to be confirmed 
Dr Caroline Low, Drug Design Consultant

14.35
US-EPA Chemicals Dashboard and Applications to Digital Design of Molecules
Dr Antony Williams, Cheminformatician, US Environmental Protection Agency (EPA)
15.05
Facilitated Q&A
15.30
Meeting close
 
 

Fees
This webinar is free to attend

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