Digitalization: 5 key enablers that will drive the chemical plant of the future

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.

Performing hazard analyses are critical to safe operation in any chemically based operation or experiment. Often, engineers are approached with proposals for chemicals that have not been used in a company or research group previously. One ready reference to begin a hazard analysis is the careful review of the Material Safety Data Sheet (MSDS) for the chemical of interest. Surprisingly, the terms used in a MSDS are not fully understood. This webinar focuses on MSDS terms related to physical properties, flammability, and toxicity, explaining their definitions. Further, the webinar covers how to incorporate these data into any hazard analysis.

Greater complexity, disjointed systems or too costly market solutions are the enemies of chemical manufacturers & distributors – occurring when ERP, CRM, & supply chain processes are allowed to operate in silos. Thankfully, today’s business management solutions have been evolving to meet the industry’s complex demands.

There are in-built uncertainties in the data that we collect and the predictions that we make when developing chemicals, materials, or formulations. But that should not stop us from making good decisions using this information.