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Description
BIOVIA COSMOtherm represents a sophisticated implementation of COSMO-RS that merges principles of quantum chemistry with thermodynamics to forecast the thermodynamic characteristics of liquid substances. It computes the chemical potential of molecules in both pure and mixed liquids at varying temperatures, thus allowing for the estimation of various properties including solubility, partition coefficients, vapor pressures, and phase diagrams. In contrast to other approaches, COSMOtherm utilizes thermodynamically consistent equations to derive properties as a function of concentration and temperature, which enhances its accuracy. This tool is capable of predicting the solubility of liquids, solids, and gases, as well as providing values for activity coefficients, two-phase partitioning such as LogP, phase behavior, vapor pressures, free energy of solvation, pKa, energy of transfer to liquid-liquid interfaces, micellar and membrane partitioning, and interfacial tension. Additionally, COSMOtherm is equipped with a user-friendly graphical interface alongside a command-line version, facilitating smooth integration into pre-existing workflows, making it a versatile choice for researchers in the field. Its comprehensive capabilities make it a valuable asset for those seeking to understand complex liquid systems more thoroughly.
Description
Enhance your design decisions and seamlessly monitor the entire compound synthesis journey with confidence. Torx serves as an innovative, visually-oriented, web-based platform that motivates chemistry discovery teams to collaborate effectively and accelerate their progress. It features dedicated, independent modules for Design, Make, Test, and Analyze, all working in harmony to provide a comprehensive platform for the discovery cycle. Expedite the design of molecules, easily capture and disseminate knowledge, and manage resources efficiently. The platform promotes collaborative efforts and efficient information sharing for all participants involved in the DMTA cycle. Regardless of whether you label it 'Design-Make-Test-Analyze' or 'Design-Synthesize-Test-Analyze,' all small molecule chemistry teams adhere to a standard process: designing molecules, synthesizing compounds, then testing and assessing the outcomes before embarking on the next cycle; this methodology is a guiding principle for chemistry teams globally. This streamlined approach not only enhances productivity but also fosters a culture of innovation within the team.
API Access
Has API
No
API Access
Has API
No
Integrations
No details available.
Integrations
No details available.
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Pricing Details
No price information available.
Free Trial
No
Free Version
Yes
Deployment
Web-Based
No
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
Yes
Mac
No
Linux
No
Chromebook
No
Deployment
Web-Based
No
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
Yes
Mac
Yes
Linux
No
Chromebook
No
Customer Support
Business Hours
Yes
Live Rep (24/7)
Yes
Online Support
Yes
Customer Support
Business Hours
No
Live Rep (24/7)
No
Online Support
No
Types of Training
Training Docs
Yes
Webinars
Yes
Live Training (Online)
Yes
In Person
Yes
Types of Training
Training Docs
No
Webinars
No
Live Training (Online)
No
In Person
No
Vendor Details
Company Name
Dassault Systèmes
Founded
1981
Country
France
Website
www.3ds.com/products/biovia/cosmo-rs/cosmotherm
Vendor Details
Company Name
Cresset Group
Founded
2002
Country
United Kingdom
Website
www.torx-software.com
Product Features
Chemical
Certificates of Analysis
No
Chemical Process Simulation
No
Computer-Assisted Structure Elucidation (CASE)
No
ISO Management
No
Inventory Management
No
Particle Tracking
No
Reporting & Statistics
No
Samples Tracking
No
Traceability
No
Uncertainty Analysis
No
Product Features
Chemical
Certificates of Analysis
No
Chemical Process Simulation
No
Computer-Assisted Structure Elucidation (CASE)
No
ISO Management
No
Inventory Management
No
Particle Tracking
No
Reporting & Statistics
No
Samples Tracking
No
Traceability
No
Uncertainty Analysis
No