BIOVIA COSMOquick 2026.0: Rapid COSMO-RS Based Property Prediction Toolbox

BIOVIA COSMOquick 2026.0 is a powerful, COSMO-RS (Conductor-like Screening Model for Real Solvents) based toolbox designed to remove the need for costly and time-consuming quantum chemistry calculations . It provides a fast and accurate shortcut for predicting liquid-phase thermodynamic properties, enabling researchers to screen large chemical spaces efficiently.

Unlike its counterpart BIOVIA COSMOtherm, which relies on quantum-chemically calculated σ-profiles for each molecule, COSMOquick generates approximate σ-profiles from 2D molecular structures (SMILES) using its built-in COSMOfrag functionality . This allows for high-throughput screening and property prediction without requiring dedicated quantum chemistry software or expertise. It includes capabilities for accurate solubility predictions, efficient co-crystal and solvate screening (100-1000 coformers within seconds), ADME property calculations, and generation of diverse molecular descriptors and QSPR models.

👥 Primary Users

This professional property prediction software is designed for:

• Pharmaceutical Researchers performing rapid solubility prediction, cocrystal screening, and ADME property calculations for drug development 

• Formulation Scientists screening solvents and excipients for optimal formulations across chemical spaces 

• Computational Chemists generating approximate σ-profiles for use with BIOVIA COSMOtherm without costly quantum chemistry calculations 

• Material Scientists predicting polymer sorption, Hansen solubility parameters, and thermodynamic properties of novel compounds 

• Process Engineers performing rapid solvent screening and liquid-phase property prediction for process design

⚡ Key Features & Capabilities

🧪 Core Property Prediction

COSMOquick provides a wide array of liquid-phase property predictions :

• Solubility Predictions: Highly accurate and efficient solubility predictions using a novel algorithm that can be calibrated with a few experimental reference values 

• Cocrystal & Solvate Screening: Rapid screening of 100-1000 potential coformers or solvates within seconds based on excess enthalpy of the undercooled melt 

• Partition Coefficients: Prediction of partition coefficients for many different solvents, including log P and other ADME-relevant properties 

• ADME Properties: Calculations of water solubility and various partition coefficients relevant to drug bioavailability 

• Sorption Properties: Prediction of sorption of gases and small molecules in polymers and solvents 

• Hansen Solubility Parameters: Determination of Hansen solubility parameters via predicted solubilities 

• Molecular Properties: Prediction of melting point and fusion enthalpy via integrated QSPR machine learning models 

⚡ Key Capabilities & Workflows

• Approximate σ-profile Generation (COSMOfrag): Fast generation of approximate σ-profiles from SMILES strings, eliminating the need for quantum chemistry calculations .

• Solute Backfitting: Creation of σ-profiles for unknown compounds using only reference solubility data in different solvents 

• QSPR Builder: Use COSMO-RS descriptors to generate and deploy meaningful quantitative structure-property relationship (QSPR) models 

• Rapid Solvent Screening: Efficiently identify suitable solvents or solvent mixtures for APIs and other applications 

• Flowchart-based Workflow: Simple, intuitive interface that guides users through property predictions and screenings 

🆕 What’s New in Version 2026.0

The 2026 Golden Release, available since November 2025, includes the following key enhancements and fixes :