Baati, NadiaNanchen, AnnikStoessel, FrancisMeyer, Thierry2016-06-232016-06-232016-06-23201610.3303/CET1648087https://infoscience.epfl.ch/handle/20.500.14299/126813WOS:000383876200087For efficient inherently safe design, awareness of all available options at the appropriate decision-making moment is key. Simulations offer both timely availability and large screening possibilities. Therefore computer-aided product design gained in popularity during the recent years and models of various physico-chemical properties were developed. Yet, predictions of safety related data are still limited. Hence, thermal stability derived from Differential Scanning Calorimetry (DSC) is analysed and simulated with two molecular-based modelling approaches: Group Contribution Method (GCM) and Quantitative Structure-Property Relationships (QSPR). Predictive models are developed and evaluated over fitting and predictive abilities for five properties extracted from the DSC curves.ThermalStabilitySafeMolecular-basedtext::conference output::conference proceedings::conference paper