COSMOsuite
A COSMO-RS-based software suite for predicting fluid properties
COSMOsuite Overview
Harness the power of in silico molecular modeling to predict fluid and material properties with precision. COSMOsuite enables accurate simulations of molecular interactions in solution, reducing reliance on experimental data and accelerating development cycles. Ideal for pharmaceutical, materials and formulation scientists and process chemists, our tools provide deep insights into molecular behavior, driving faster innovation and more efficient product development.
Tools in COSMOsuite
- Predict thermodynamic properties such as solubilities, activity coefficients or vapor pressures in liquid mixtures.
- Screen for the optimal solvent or solvent mixture
- Optimize the partitioning behavior, e.g. for liquid extraction purposes
- Find entrainers or cosolvents
Frequently Asked Questions
Do I need experimental data to use COSMOsuite tools?
No. BIOVIA COSMOtherm and the COSMO-RS software suite are fully predictive, they require no experimental input data. All predictions derive from quantum mechanical COSMO files generated per compound or available through COSMObase.
What properties can COSMOtherm predict?
COSMOtherm covers a broad range of liquid-phase equilibrium properties including: solubility of liquids, solids, and gases, vapor pressure and free energy of solvation, partition coefficients (e.g. LogP), activity coefficients, pKa and chemical reaction equilibria in different solvents, VLE, LLE, SLE phase diagrams, interfacial tension and critical micelle concentrations, micelles, microemulsions and biomembranes (via COSMOplex)
How much faster is COSMOplex versus molecular dynamics simulation?
COSMOplex is up to 10,000 times faster than conventional molecular dynamics (MD) for modeling self-organizing systems such as micelles, microemulsions, and biomembranes. It combines chemical potentials from COSMO-RS with atomic pressure calculations in a defined geometry — delivering MD-comparable results at a fraction of the computational cost.
Is there a free trial or demo available?
Yes. A free demo version of the COSMOsuite toolboxes is available. As an authorized Dassault Systèmes partner, kindly contact us to get access. We encourage a scoping call to define the right evaluation scenario so you can assess value against your actual workflows.
Resources
BIOVIA COSMOsuite datasheets
Property prediction for molecules in liquids with COSMO-RS. Datasheets for COSMOtherm and the four tools that go with it.
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BIOVIA Discovery Studio brochure
Molecular modeling and simulation for protein structure, small molecule design and biotherapeutics.
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BIOVIA Portfolio: A Comprehensive Overview of Scientific Solutions for Innovation and Productivity
An overview of the BIOVIA portfolio, the Dassault Systèmes software for materials science, chemistry and life sciences research, and what each tool does.
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How to Customize Usage Access for BIOVIA Licenses
Learn how to customize BIOVIA license usage access, manage permissions, and control software availability for teams efficiently and securely.
Read moreTraining on COSMOsuite
Courses written and taught by LaunchTech, in person, at your offices or online.
