Automated workflows for modelling chemical fate, kinetics and toxicity.

ABSTRACT: Automation is universal in today's society, from operating equipment such as machinery, in factory processes, to self-parking automobile systems. While these examples show the efficiency and effectiveness of automated mechanical processes, automated procedures that support the chemical risk assessment process are still in their infancy. Future human safety assessments will rely increasingly on the use of automated models, such as physiologically based kinetic (PBK) and dynamic models and the virtual cell based assay (VCBA). These biologically-based models will be coupled with chemistry-based prediction models that also automate the generation of key input parameters such as physicochemical properties. The development of automated software tools is an important step in harmonising and exped

SUBMITTER: Sala Benito JV 

PROVIDER: S-EPMC5745146 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature