DOWNLOAD ACD/NMR PREDICTORS

Chemists that met at University, With just a handful of products in the areas of NMR prediction, nomenclature, chemical structure drawing, and physicochemical property prediction. Structure evaluation—automatically compare predicted and experimental NMR spectra and receive a match factor. Instantly generate formatted multiplet reports for patents, reports, and publications Easily store and retrieve all the knowledge and information associated with 1D NMR data in your organization or lab with a fully searchable database including chemical structure, spectrum assignments, parameters, user data etc. With the simple input of a chemical structure, you can predict NMR spectra in seconds. The software can improve your elucidation workflow in a variety of ways:

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Automate the process of assessing the fit between proposed structure and experimental data, so that only ambiguous or inconsistent structures have to be evaluated manually.

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 Train the predictors with experimental data to improve prediction accuracy in novel and proprietary chemical spaces Automatically verify and assign experimental spectra when a structure is attached with one button click.

Features Search by chemical shift, coupling constants, molecular formula, molecular weight, or spin system Search for exact structure or substructure matches. Related Product from Top Suppliers.

Benefits Desktop viewing and processing capabilities away from the instrument and in the comfort of your own lab or office. Quickly and easily create professional reports containing spectra, chemical structures, multiplet reports, assignment tables, and more. You can import data from all major NMR instrument vendor formats, and carry out basic, advanced, or automated processing.

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Acd/nmr predictors

A standardized format and methods to treat NMR data across your organization. Multi-technique analytical data processing and interpretation provides capabilities for the full range of spectroscopic techniques. Automated Structure Verification Automate the process of assessing the fit between proposed structure and experimental data, so that only ambiguous or inconsistent structures have to be evaluated manually. Instantly generate formatted multiplet reports for patents, reports, and publications Easily store and retrieve all the knowledge and information associated with 1D NMR data in your organization or lab with a fully searchable database including chemical structure, spectrum assignments, parameters, user data etc.

Gain assistance with routine structure verification and access to spectral databases. Explore fragmentation pathways, gain unbiased review of all possible fragments, and create full-featured reports with ease.

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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.

Structure Elucidator is a complete software package that helps in the elucidation of unknown structures. 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.

Features Real-time vendor neutral processing- Apply all processing features automatically or on the fly, with the ability to preview your results before applying them Important information in half the time - peak picking, multiplet patterns, and coupling constants are generated automatically while integrating peaks.

NMR Predictors are available as three distinct packages: Quickly identify structures through integrated ChemSpider searching, structural filtering, and retention time predictorz. 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.

Simply draw a structure, select an ionization technique and polarity, and get instant predictions for almost any MS experiment. The resulting database record can be searched by structure, chemical shift, multiplet, and other search methods. Benefits Ease interpretation of spectra for non-routine experiments and preditcors 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.

It extracts information from various analytical techniques NMR, MS, UV-IR, and chromatography in all instrument formats to generate potential structures that are consistent with the data provided. Contact us to request a demonstration of our software, or to answer any questions you may have.

Optimize concentration gradient, temperature, and resolution of your separation during method development using either a database of experimental chromatograms, or calculations of physicochemical properties such as boiling point, logP, logD, and pKa. Advanced Chemistry Development, Inc.

ACD/ :: NMR Spectroscopy Software

All NMR predictors also include full processing functionality, and the ability to train predictions with your own experimental data. True preedictors to structure integration - assign multiplets to atoms, and retain the assignments to share knowledge and improve NMR predictions. Percepta Platefom Get Latest Price. Chromatography Databases Fully searchable commercial databases containing structure, retention times, chromatograms, instrument parameters, column data, and much more.

This package includes a wide array of processing and data basing capabilities. In just a few seconds, the methods are ranked according to suitability, and displayed with a simulated chromatogram and a table of predicted retention times.