COSMOquick 1.4 released

New features include:

  • Prediction of partition coefficients

  • Extension of the database for instant -profile generation (contains now about 170000 .COSMO files)

  • New model for prediction of solvate formation

  • Improved melting point prediction

  • Enhanced treatment of polymers

  • Command line calls for QSPR models e.g. for scripting with COSMOquick

  • Other features: additional options for 3D structure generation, new QSPR models, additional solubility workflows, like solvent screening with multiple solutes, simplified export of compounds for use with COSMOtherm

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