The Screening phase is based on the automated screening approach introduced by Scheffczyk et al. . For a given process, the approach aims to identify promising molecules through 125 extensive and automated molecular screening within a given database. The Screening phase considers both molecular properties and a process model: The COSMO-RS model is used to predict properties for a large number of molecules, and a pinch-based shortcut process model is available for a comprehensive process-level assessment of the screened molecules if needed. As a result, the approach generates a list of all valid candidate molecules, which are 130 sorted according to predefined screening criteria, such as minimum energy demand.