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What is NMR Predictors?

Forecasting 1D and 2D NMR spectra of various structures can greatly enhance efficiency. ACD/Labs NMR predictors streamline the process, aiding in experimental design and the interpretation of results. With ACD/NMR Predictors, users can anticipate comprehensive 1D and 2D NMR spectra for nuclei such as 1H, 13C, and 15N. Additionally, these tools enable rapid calculations of chemical shifts and coupling constants within seconds. Furthermore, the algorithms can be refined using proprietary data to improve the precision for unfamiliar chemical environments. This capability not only saves time but also elevates the quality of analysis in NMR spectroscopy.

What is AQChemSim?

AQChemSim, an advanced cloud-based service developed by SandboxAQ, employs Large Quantitative Models (LQMs) rooted in physical and chemical principles to revolutionize the field of materials discovery and improvement. By integrating methodologies such as Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQChemSim enables accurate simulations of molecular and material behavior in practical applications. Its capabilities include predicting performance across various stress scenarios, accelerating formulations through in silico assessments, and exploring environmentally friendly chemical processes. Notably, AQChemSim has made significant strides in the realm of battery technology, reducing the prediction time for the end-of-life of lithium-ion batteries by an impressive 95%, while achieving 35 times greater precision with only a fraction of the previously necessary data. This groundbreaking progress not only enhances the efficiency of research but also opens up opportunities for more sustainable energy solutions in the future. As such, AQChemSim stands at the forefront of innovation, driving advancements that could reshape entire industries.

Media

Media

Integrations Supported

Integrations Supported

Amazon Web Services (AWS)

API Availability

API Availability

Pricing Information

Pricing not provided

Pricing Information

Pricing not provided

Supported Platforms

Windows

Supported Platforms

SaaS

Customer Service / Support

Not specified

Customer Service / Support

Web-Based Support

Training Options

Not specified

Training Options

Documentation Hub
Webinars
Online Training

Company Facts

Organization Name

ACD/Labs

Date Founded

1994

Company Location

Canada

Company Website

www.acdlabs.com/products/spectrus-platform/nmr-predictors/

Company Facts

Organization Name

SandboxAQ

Date Founded

2021

Company Location

United States

Company Website

www.sandboxaq.com/solutions/aqchemsim

Categories and Features

Chemical

Not specified

Categories and Features

Chemical

Not specified

Materials Science

Not specified

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