Digital Continuity in the Chemical Lab – and Beyond

Industry is currently facing a substantial challenge. There is an increasing need to develop chemical hazard data for both new and existing chemicals, while at the same time there are current and proposed regulatory mandates as well as ethical drivers to reduce, refine, and replace (the “3 R’s”) the use of animal test methods with alternative non-animal methodologies. This creates a challenge for innovators, formulators, and companies who strive to introduce a new chemical or fill data gaps on existing chemicals while adhering to the principles of the 3 R’s. In silico, or computational toxicology software offers an alternative method for predicting chemical hazards. Traditional Quantitative Structure Activity Relationship (QSAR) methodology employs simple analog identification and predicting hazard data from chemical analogs with known hazard data. This webinar will cover the UL Cheminformatics Tool Kit, a novel in silico approach combining big data with advanced machine learning incorporating data fusion. The approach integrates novel models called RASARs (Read-across Structure Activity Relationship) with data fusion techniques that extend this concept by considering all available property data on both the target and analogs rather than only the modeled hazard.

Learn how modern experimentation methods can increase your process understanding, allowing you to develop new products and boost your R&D output Building robust process understanding is critical to developing a dynamic product portfolio and increasing R&D output. This webinar will introduce data-driven experimentation practices that can help you develop processes predictably and meet key project milestones.

Before marketing a new chemical, the manufacturer/importer, in order to meet the various national and international legal requirements, has to submit information in the form of a notification or registration (e.g. phys-chem, toxicological, ecotoxicological data) to support each Government’s risk assessment to determine whether the substance poses an unreasonable risk to the environment and/or human health. Some countries require pre-manufacture/import notification while for many jurisdictions, the chemical notification process is a tiered system requiring subsequent notifications as the annual amount of the imported or manufactured substance increases. Further, there are expanding global initiatives to assess chemicals already in the marketplace and subsequently take action on any chemicals found to be harmful to human health and/or the environment.

The timing and scale of disruptive impact of digitalization on the chemical industry is difficult to predict; however, significant competitive advantage will fall to chemical companies who are able to develop an end-to-end digitalized ecosystem.Whether you are designing new, intelligent facilities or leveraging digital technologies to optimize existing, many opportunities exist with technology already available today.