Acd labs nmr predictor

View side by side comparisons of experimental and predicted spectra. Import a 1D or 2D spectrum from any instrument for all major vendor formats. We have answers If you can't find what you're looking for, ask a real person. Our highly trained sales and support staff are ready with answers. Features Calculate and display accurate chemical shifts and coupling constants for 1 H, 13 C, 15 N, 19 F, and 31 P Solvent specific prediction of 1 H and 13 C spectra Recognize tautomeric forms before prediction Process experimental spectra from a variety of NMR data formats Automatically verify and assign experimental spectra when a structure is attached with one button click.

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NMR Spectroscopy Software

From the synthetic chemist to the expert NMR spectroscopist, each has the challenging task of interpreting large amounts of complex data. Train the predictors with experimental data to improve prediction accuracy in novel and proprietary chemical spaces Benefits Ease interpretation of spectra for non-routine experiments and complex structures Quickly verify and auto assign experimental spectra to a chemical structure Reduce instrument time by estimating 15 N chemical shifts and narrowing down the experimental acquisition range for these experiments.

All NMR Predictors use both HOSE code and neural net algorithms to provide the most accurate chemical shifts in the prediction of spectra, while also taking into account stereochemistry.

We have answers If you can't find what you're looking for, ask a real person.

View side by side comparisons of experimental and predicted spectra. Click Verify to obtain a colour indicating 'match factor'classifying the structure-spectrum correlation as good, ambiguous, or poor.

Multi-technique analytical data acv and interpretation.

Other Links What's New: If nmd can't find what you're looking for, ask a real person. Chemical structure verification by NMR forms an important part of the analytical data workflow and presents a huge bottleneck throughout drug development.

Predicted spectra can also be directly compared with experimental data for more efficient structure verification. Reduce the burden of routine interpretation tasks for even the most complex structures and eliminate expensive downstream analyses performed on undesired structures.

Benefit from the simultaneous analysis of 1D and 2D NMR data supplementing greater precision through the use of predicor shifts, directly coupled proton shifts and stereoisomers.

ACD/robbg.me :: NMR Spectroscopy Software

Solutions Solutions by Industry Pharmaceutical Current: Addressing Difficulties and Providing Solutions Webinar: If you can't find what you're looking for, ask a real person. Import a 1D or 2D spectrum from any instrument for all major vendor formats.

Our highly trained sales and support staff are ready with answers. Automatically, or manually assign peaks in the spectrum to corresponding nuclei in the chemical structure.

NMR Predictors are available as three distinct packages: We have answers If you can't find what you're looking for, ask a real person.

Overview Features Resources What's New. Our highly trained sales and support staff are ready with answers. Further improve the accuracy of predictions to novel and proprietary chemical space by training the databases of predictors with in-house experimental data.

Features Calculate and display accurate chemical shifts and coupling constants for 1 H, 13 C, 15 N, 19 F, and 31 P Solvent specific prediction of 1 H and 13 C spectra Recognize tautomeric forms before prediction Process experimental spectra from a variety of NMR data formats Automatically verify and assign experimental spectra when a structure is attached with one button click.

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