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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
Reaxys is an online resource created by Elsevier that enables users to access a wealth of information regarding chemical substances and data sourced from published academic literature, including both journals and patents. This platform facilitates the retrieval of details about chemical compounds, reactions, properties, along with bibliographic and substance data, which includes synthesis planning guidance and experimental methods derived from a curated selection of journals and patents. Introduced in 2009 as a modern alternative to the CrossFire databases, Reaxys was crafted to provide research chemists with both contemporary and historical insights into organic, inorganic, and organometallic chemistry, all via a user-friendly interface. Spanning over two centuries of chemical research, it draws information from thousands of journal articles, books, and patents, ensuring a comprehensive resource. The database emphasizes data derived from specific journals and chemistry patents, prioritizing entries that feature a chemical structure, are validated by experimental data, and contain reliable citations, thus enhancing the credibility of the information provided. Furthermore, Reaxys continues to evolve, ensuring that it meets the ongoing needs of researchers in the ever-changing landscape of chemical research.
API Access
Has API
API Access
Has API
Integrations
No details available.
Integrations
No details available.
Pricing Details
No price information available.
Free Trial
Free Version
Pricing Details
No price information available.
Free Trial
Free Version
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Deployment
Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Customer Support
Business Hours
Live Rep (24/7)
Online Support
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Types of Training
Training Docs
Webinars
Live Training (Online)
In Person
Vendor Details
Company Name
Dassault Systèmes
Founded
1981
Country
France
Website
www.3ds.com/products/biovia/cosmo-rs/cosmotherm
Vendor Details
Company Name
Elsevier
Founded
1880
Country
Netherlands
Website
www.elsevier.com/products/reaxys
Product Features
Chemical
Certificates of Analysis
Chemical Process Simulation
Computer-Assisted Structure Elucidation (CASE)
ISO Management
Inventory Management
Particle Tracking
Reporting & Statistics
Samples Tracking
Traceability
Uncertainty Analysis
Product Features
Chemical
Certificates of Analysis
Chemical Process Simulation
Computer-Assisted Structure Elucidation (CASE)
ISO Management
Inventory Management
Particle Tracking
Reporting & Statistics
Samples Tracking
Traceability
Uncertainty Analysis