PEC12-25 CAPEC-PROCESS Industrial Consortium ... - DTU Orbit
PEC12-25 CAPEC-PROCESS Industrial Consortium ... - DTU Orbit
PEC12-25 CAPEC-PROCESS Industrial Consortium ... - DTU Orbit
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Figure 4.3: COM-object generation through MoT and use in external software<br />
In ICAS 15.0, MoT has new features (see the MoT new features document); ProCamd and<br />
ProPred have had bug-fixes; a new solvents database has been added to the <strong>CAPEC</strong>DB<br />
(EXCEL version); and SustainPro and the vPPD-lab has new versions.<br />
In ICAS 15.0, Propred 4.3 has a number of new additions and updates. These new features<br />
includes estimation of 10 environment-related properties (LC50,GWP, …) of organic<br />
compounds using MG method with uncertainty estimates, estimation of lipids properties<br />
including single and temperature dependent properties by MG method, an extended internal<br />
database (with more than 23000 molecules), revised and improved property estimation,<br />
estimation of new properties such as liquid thermal conductivity, user friendly navigation<br />
features, quantification of prediction uncertainties (95% CI). Last but not least, it is now<br />
possible to run PC-SAFT from Propred for estimation of temperature-dependent properties<br />
(see Figure 4.4)<br />
Figure 4.4 Running PC-SAFT from Propred 4.3<br />
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