The predictions from Professor Pretsch are now backed by 27,747 recent proton NMR data which have been abstracted from the literature.

This routine has been enhanced to make use of 3D structures

Includes the substituent chemical shifts approach developed by Professor Ernö Pretsch of ETH, Zürich.

Offers an optional database building module which allows you to build your own C13 NMR databases for prediction.

No other prediction program is able to do this so reliably

Is able to differentiate its predictions based on the stereochemistry in the molecule.

Automatically selects a 'Best' C13 prediction for each atom from the two prediction methods.

Also uses a highly sophisticated Neural Network algorithm to help predict molecules which are not well represented in the database.

This database of over 526,000 records is the largest commercial collection in the world

Uses an enhanced HOSE Code algorithm to make predictions against a database of 340,785 of the most highly verified data available.Īn optional additional 185,507 data from Wiley are also available.

It is priced remarkably reasonably for both industrial and academic users.You are informed when and why predictions can be relied upon, and when you need to take care It not only gives reliable predictions but is not a 'black box'.You can enter your query structures using any structure drawing program.It is so easy to use that you can learn the program in minutes.He is the developer of PC Model and GMMX. Dr Kevin Gilbert of Serena Software has been working in the field of Geometry optimization and Conformational searching using molecule mechanics force fields for over 35 years.He is the developer of the CHARGE proton NMR prediction program which is included in NMRPredict Professor Ray Abraham of the University of Liverpool is renowned as one of the world leaders in proton NMR prediction and has published over 20 papers on the subject over the past 40 years.Professor Ernö Pretsch of ETH, Zürich is known as one of undoubted world leaders in NMR prediction as has published many books.He and his co-workers have built up a database of over 340,000 C13 and 55,000 X-Nuclei data and he is the developer of the CSEARCH C13 and X-Nuclei prediction program

Professor Wolfgang Robien of the University of Vienna has been working in the area of Carbon 13 NMR prediction and databasesįor over 30 years.While the Windows interface for NMRPredict is new, the science behind the program certainly is not and includes over 120 man years of development from four of the world leaders in their respective fields:

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