PEC12-25 CAPEC-PROCESS Industrial Consortium ... - DTU Orbit

Figure 4.3: COM-object generation through MoT and use in external software
In ICAS 15.0, MoT has new features (see the MoT new features document); ProCamd and
ProPred have had bug-fixes; a new solvents database has been added to the CAPECDB
(EXCEL version); and SustainPro and the vPPD-lab has new versions.
In ICAS 15.0, Propred 4.3 has a number of new additions and updates. These new features
includes estimation of 10 environment-related properties (LC50,GWP, …) of organic
compounds using MG method with uncertainty estimates, estimation of lipids properties
including single and temperature dependent properties by MG method, an extended internal
database (with more than 23000 molecules), revised and improved property estimation,
estimation of new properties such as liquid thermal conductivity, user friendly navigation
features, quantification of prediction uncertainties (95% CI). Last but not least, it is now
possible to run PC-SAFT from Propred for estimation of temperature-dependent properties
(see Figure 4.4)
Figure 4.4 Running PC-SAFT from Propred 4.3
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