BIOVIA Solvation Chemistry (original name: BIOVIA COSMOlogic) is a set of software developed on the basis of COSMO-RS theory for different systems. Chemical formulas of compounds are obtained on the basis of a combination of quantitative and thermodynamic methods to predict the thermodynamic properties of mixed solutions of arbitrary components, including: Activity coefficient, liquid-gas equilibrium, liquid-liquid equilibrium, solid-liquid equilibrium, eutectic point, distillation separability, solubility of gases, liquids, solids, vapor pressure, heat of vaporization, Henry's Constant, partition coefficient, heat of mixing, thermodynamics of reaction in solution, chemical potential, chemical potential gradient, density and viscosity of pure compounds. The scope of application includes organic solutions, ionic solutions, polymers and pharmaceutical molecules. It is widely used in the fields of chemical engineering process design, chemical solvent (including ionic solvent) screening and drug molecular screening.



Major update:
 

• The COSMO-RS-ELYTE parameter set is better suited to the thermodynamic properties of electrolyte systems, including small ions (such as alkali metal atomic ions), and expands the application for formulation screening of strongly polar lithium-ion electrolytes.

• The prediction of melting point and fusion enthalpy based on Random Forest/GradientBoosting machine learning model improved the solubility prediction accuracy of small molecule drug api.

• Increase liquid thermal conductivity and diffusion coefficient function.

• The input function of QSPR parameters of temperature dependent density prediction model is added in the graphical user interface of COSMOtherm.

• A mixture density prediction module is added in COSMOthermX.

• The three-phase LLE phase diagram in COSMOthermX has been optimized and upgraded.

• Improved COSMOmic and COSMOperm 3D Viewer display to show the orientation of all conformation sets in different micelle or membrane depths, instead of just showing the first conformation.

• COSMOtherm extends COSMO-RS equations of state (EOS) to compressible liquid and real gas systems in the calculation of density, vapor pressure, Henry constant, solvation free energy, binary phase diagrams.

• COSMOtherm considers the dispersion of Grimme D3 in liquid and gas phases, which enhances the calculation function of mixture properties.

• COSMOtherm has added the "Add All Pure" key to its mixture panel, a feature that allows all pure compounds to be imported with one click.
   

• The graphic plotting function of binary SLE phase diagram calculation in COSMOtherm will automatically output eutectic points if there are eutectic points in the system. And you can export to Excel.

• BIOVIA COSMOconf 2023 requires the lowest version of TURBOMOLE to be TmoleX 4.5 (BIOVIA TURBOMOLE 7.4). To use DMol3 in MS, the minimum is MS2020.

  
BIOVIA COSMOlogic 2023 System and hardware requirements:

BIOVIA COSMOtherm 2023和BIOVIA COSMOplex&perm 2023 :

• Disc space requirement: 2.5 GB

• Microsoft Windows: 10 (Pro, Enterprise; 64-bit only)

• Microsoft Windows: 11 (Pro, Enterprise; 64-bit only)

• Red Hat Enterprise Linux: 7.5, or later (64-bit only); glibc 2.17, or later

• Red Hat Enterprise Linux: 8.1, or later (64-bit only); glibc 2.28, or later

• CentOS Linux: version 7.5, or later (64-bit only); glibc 2.17, or later

• Mac OS: 10.14, or later (64-bit only)

 
BIOVIA COSMObase 2023:

•  > 20 GB disc space

 
BIOVIA COSMOquick 2023:

•  Disc space requirement: 5.0 GB (0.5 GB program installation, and 4.5 GB COSMOquick database)

•  Microsoft Windows: 10 (Pro, Enterprise, 64-bit only)

•  Microsoft Windows: 11 (Pro, Enterprise, 64-bit only)

•  Red Hat Enterprise Linux: 7.5, or later (64-bit only); glibc 2.17, or later

•  Red Hat Enterprise Linux: 8.1, or later (64-bit only); glibc 2.28, or later

•  CentOS Linux: version 7.5, or later (64-bit only); glibc 2.17, or later

•  Mac OS: 10.14, or later (64-bit only)

 
BIOVIA COSMOconf 2023:

•  Disc space requirement: 0.6 GB

•  Microsoft Windows: 10 (Pro, Enterprise; 64-bit only)

•  Microsoft Windows: 11 (Pro, Enterprise; 64-bit only)

•  Red Hat Enterprise Linux: 7.5, or later (64-bit only); glibc 2.17, or later

•  Red Hat Enterprise Linux: 8.1, or later (64-bit only); glibc 2.28, or later

•  CentOS Linux: version 7.5, or later (64-bit only); glibc 2.17, or later

•  Mac OS: 10.14, or later (64-bit only)