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What Do All Your Products Do?!

It’s a fair question. We have a lot of different NMR software products that do many different things. In total, ACD/Labs actually has over 100 different products as in addition to NMR software we also develop chemical drawing, naming, and databasing, MS, Chrom, UV-IR, PhysChem and more.

Sometimes this sheer amount of choice and complexity can confuse someone or cause anxiety. I’ll try and point you to all of ACD/Labs’ NMR Software packages with a quick and easy blurb on what each does and doesn’t do.

ACD/1D NMR Processor:

What it does: This is our standard 1D NMR processing package. With it you can import all the major vendor formats and process and analyze all 1D NMR spectra. This product comes with the multiplet analysis tool that I have talked alot about on here in the past. One of it’s unique features is the ability to attach chemical structures and electronically assign multiplets in the spectra to the atoms in the chemical structure.

What it doesn’t do:
It does not allow you to import 2D NMR data. You also cannot database your spectra, or predict any NMR spectra with this tool (see below for these products).

ACD/2D NMR Processor:

What it does:  You can import, process, and analyze all your 1D and 2D NMR data. It includes all the functionality and features available in ACD/1D NMR Processor. In addition much like 1D NMR Processor you can attach chemical structures and easily electronically assign  correlations to atoms in the structure. Because it also includes 1D NMR Processor, users can transfer assignments from 1D spectra to 2D spectra and vice versa.

What it doesn’t do: You also cannot database your spectra, or predict any NMR
spectra with this tool (see below for these products).

ACD/1D NMR Manager:

What it does: First and foremost this is a databasing tool. However, it includes all of the functionality available in ACD/1D NMR Processor. In addition to that it allows you to build your own database of 1D NMR data that can be searched in a variety of ways. The ability to electronically assign data to chemical structures is valuable here as it allows you to store completely assigned NMR spectra.

What it doesn’t do: You cannot predict any NMR
spectra with this tool (see below for these products).

ACD/2D NMR Manager:

What it does: This is a databasing tool for both 1D and 2D NMR data. It includes all of the functionality available in ACD/1D and 2D
NMR Processor. It allows you to build your own
database of 1D and 2D NMR data that can be searched in a variety of ways. All types of 1D and 2D NMR data can be stored in one database record. The ability to electronically assign data to chemical structures is
valuable here as it allows you to store completely assigned NMR
spectra.

What it doesn’t do: You cannot predict any NMR
spectra with this tool (see below for these products).

ACD/HNMR Predictor:

What it does:  It predicts 1H NMR spectra, chemical shifts, and coupling constants. In addition you can build your own database of chemical structures, chemical shifts, coupling constants, user data, etc. The primary purpose of this database is to improve the accuracy of the NMR predictions (data imported in your database can be used to train the NMR prediction algorithm) but this database can also be searched in a variety of ways (structure, substructure, chemical shift, etc.)

What it doesn’t do: It only predicts 1H NMR spectra, chemical shifts, and coupling constants. Therefore it does not predict any other nuclei (see below for these products). It also does not do any NMR processing or analysis (see ACD/1D and 2D NMR Processor above). You cannot database NMR spectra with this program only structures and tables of chemical shifts and coupling constant data.

ACD/CNMR Predictor:

What it does:  It is the 13C equivalent of HNMR Predictor. It predicts 13C NMR spectra, chemical
shifts, and coupling constants. In addition you can build your own
database of chemical structures, chemical shifts, coupling constants,
user data, etc. The primary purpose of this database is to improve the
accuracy of the NMR predictions (data imported in your database can be
used to train the NMR prediction algorithm) but this database can also
be searched in a variety of ways (structure, substructure, chemical
shift, etc.)

What it doesn’t do: It only predicts 13C NMR spectra, chemical shifts, and coupling constants. Therefore it does not predict any other nuclei (see other predictors). It also does not do any NMR processing or
analysis (see ACD/1D and 2D NMR Processor above). You cannot database
NMR spectra with this program only structures and tables of chemical
shifts and coupling constant data.

ACD/2D NMR Predictor:

What it does:  It predicts 2D NMR spectra, chemical shifts, and coupling constants. In
addition you can build your own database of chemical structures,
chemical shifts, coupling constants, user data, etc. This product also includes ACD/HNMR, CNMR Predictor, and ACD/2D NMR Processor. As a result, you can build your own
database of chemical structures, chemical shifts, coupling constants,
user data, etc. to improve the
accuracy of the NMR predictions (data imported in your database can be
used to train the NMR prediction algorithm) that can also
be searched in a variety of ways (structure, substructure, chemical
shift, etc.) In addition, you can import, process, and analyze all of your 1D and 2D NMR data because this product includes 2D NMR Processor. This is an excellent product for an NMR Spectroscopist. 

What it doesn’t do: It only predicts 1H-1H homonuclear 2D NMR spectra and 1H-13C heteronuclear NMR spectra,
chemical shifts, and coupling constants. If you want to predict other heteronuclear NMR spectra such as 1H-15N, you will also need the ACD/NNMR Predictor. You cannot database
NMR spectra with this program only structures and tables of chemical
shifts and coupling constant data.

ACD/NNMR Predictor:

What it does:  It is the 15N equivalent of HNMR Predictor. It predicts 15N NMR chemical
shifts, and coupling constants. Much like the other predictors, you can build your own
database of chemical structures, chemical shifts, coupling constants,
user data, etc. The primary purpose of this database is to improve the
accuracy of the NMR predictions (data imported in your database can be
used to train the NMR prediction algorithm) but this database can also
be searched in a variety of ways (structure, substructure, chemical
shift, etc.)

What it doesn’t do: It only predicts 15N NMR spectra,
chemical shifts, and coupling constants. Therefore it does not predict
any other nuclei (see other predictors). Note that unlike the HNMR and CNMR Predictor, ACD/NNMR Predictor does
not generate a predicted spectrum it only provides a table of predicted
chemical shifts and coupling constants.It also does not do any NMR
processing or
analysis (see ACD/1D and 2D NMR Processor above). You cannot database
NMR spectra with this program only structures and tables of chemical
shifts and coupling constant data.

ACD/FNMR Predictor:

What it does:  It is the 19F equivalent of HNMR Predictor. It predicts 19F NMR chemical
shifts, and coupling constants. Much like the other predictors, you can build your own
database of chemical structures, chemical shifts, coupling constants,
user data, etc. The primary purpose of this database is to improve the
accuracy of the NMR predictions (data imported in your database can be
used to train the NMR prediction algorithm) but this database can also
be searched in a variety of ways (structure, substructure, chemical
shift, etc.)

What it doesn’t do: It only predicts 19F NMR spectra,
chemical shifts, and coupling constants. Therefore it does not predict
any other nuclei (see other predictors). Note that unlike the HNMR and CNMR Predictor, ACD/FNMR Predictor does
not generate a predicted spectrum it only provides a table of predicted
chemical shifts and coupling constants.It also does not do any NMR
processing or
analysis (see ACD/1D and 2D NMR Processor above). You cannot database
NMR spectra with this program only structures and tables of chemical
shifts and coupling constant data.

ACD/PNMR Predictor:

What it does:  It is the 31P equivalent of HNMR Predictor. It predicts 31P NMR chemical
shifts, and coupling constants. Much like the other predictors, you can build your own
database of chemical structures, chemical shifts, coupling constants,
user data, etc. The primary purpose of this database is to improve the
accuracy of the NMR predictions (data imported in your database can be
used to train the NMR prediction algorithm) but this database can also
be searched in a variety of ways (structure, substructure, chemical
shift, etc.)

What it doesn’t do: It only predicts 31P NMR spectra,
chemical shifts, and coupling constants. Therefore it does not predict
any other nuclei (see other predictors). Note that unlike the HNMR and CNMR Predictor, ACD/PNMR Predictor does
not generate a predicted spectrum it only provides a table of predicted
chemical shifts and coupling constants.It also does not do any NMR
processing or
analysis (see ACD/1D and 2D NMR Processor above). You cannot database
NMR spectra with this program only structures and tables of chemical
shifts and coupling constant data.

ACD/HNMR DB:

What it does: This product provides users with access to the NMR data we have compiled over the years for use in the ACD/HNMR Predictor. The database contains over 193,000 chemical structures and 1,578,000 chemical shifts that can be searched extensively. The database sizes are increased annually with every new version of the software.

What it doesn’t do: It does not predict 1H NMR spectra. It only contains the NMR data available in the HNMR Predictor. It also does not do any NMR
processing or
analysis (see ACD/1D and 2D NMR Processor above). You cannot build your own database of NMR data with this product. 

ACD/CNMR DB:

What it does: This product provides users with access
to the NMR data we have compiled over the years for use in the ACD/CNMR
Predictor. The database contains over 186,000 chemical structures and 2,351,000 chemical shifts that can be searched extensively. The
database sizes are increased annually with every new version of the
software.

What it doesn’t do: It does not predict 13C NMR spectra. It only contains the NMR data available in the CNMR Predictor. It also does not do any NMR
processing or
analysis (see ACD/1D and 2D NMR Processor above). You cannot build your own database of NMR data with this product.

ACD/NNMR DB:

What it does: This product provides users with access
to the NMR data we have compiled over the years for use in the ACD/NNMR
Predictor. The database contains over 8,800 chemical structures and 20,700 chemical shifts that can be searched extensively. The
database sizes are increased annually with every new version of the
software.

What it doesn’t do: It does not predict 15N NMR spectra. It only contains the NMR data available in the NNMR Predictor. It also does not do any NMR
processing or
analysis (see ACD/1D and 2D NMR Processor above). You cannot build your own database of NMR data with this product.

ACD/FNMR DB:

What it does: This product provides users with access
to the NMR data we have compiled over the years for use in the ACD/FNMR
Predictor. The database contains over 15,400 chemical structures and 32,790 chemical shifts that can be searched extensively. The
database sizes are increased annually with every new version of the
software.

What it doesn’t do: It does not predict 19F NMR spectra. It only contains the NMR data available in the FNMR Predictor. It also does not do any NMR
processing or
analysis (see ACD/1D and 2D NMR Processor above). You cannot build your own database of NMR data with this product.

ACD/PNMR DB:

What it does: This product provides users with access
to the NMR data we have compiled over the years for use in the ACD/PNMR
Predictor. The database contains over 26,170 chemical structures and 32,470 chemical shifts that can be searched extensively. The
database sizes are increased annually with every new version of the
software.

What it doesn’t do: It does not predict 31P NMR spectra. It only contains the NMR data available in the PNMR Predictor. It also does not do any NMR
processing or
analysis (see ACD/1D and 2D NMR Processor above). You cannot build your own database of NMR data with this product.

ACD/1D NMR Expert:

What it does: It is a processing and databasing software that is more suited for high-throughput work. In addition it offers the ability to perform high-throughput quantiation and verification on large batches of spectra. This product comes with ACD/1D NMR Processor, ACD/1D NMR Manager, HNMR Predictor and ACD/CNMR Predictor and thus includes all the functionality and features available in these products.

What it doesn’t do: It does not process or database batches of 2D NMR data and thus does not provide the quantitation and verification workflows for 2D NMR data.

ACD/2D NMR Expert:

What it does: This product provides users with the ability to perform combined verification. For a more information on the performance of combined verification, download the the two posters from the link below:

http://www.nmrsoftware.com/download/publ/2006/enc06_combverif.pdf

http://www.acdlabs.com/download/publ/2007/enc2007_gsk.pdf

It is a 1D and 2D NMR processing and databasing
software that is more suited for high-throughput work. In addition it
offers the ability to perform high-throughput quantiation and
verification on large batches of spectra. This product comes with
ACD/1D NMR Processor, ACD/2D Processor, ACD/1D NMR Manager, ACD/2D NMR Manager,  ACD/HNMR Predictor, and ACD/CNMR Predictor
and thus includes all the functionality and features available in these
products.

What it doesn’t do: Because it includes most of the NMR products I have already described there isn’t much it can’t do with respect to the other products in this product line. It does not provide the ability to do Computer Assisted Structure Elucidation (CASE) which is the next topic.

ACD/Structure Elucidator:

What it does: It’s a software tool that makes Computer Assisted Structure Elucidation a reality. It has been the topic of many peer-reviewed articles over the years. This tool uses 1D and 2D NMR, MS, Chromatography, and UV-IR data to automatically propose the chemical structure identity of unknown compounds. It includes ACD/1D NMR Processor, ACD/1D NMR Manager, ACD/2D NMR Processor, ACD/2D NMR Manager, ACD/ChromManager, ACD/MS Manager, ACD/UV-IR Manager, ACD/HNMR Predictor, ACD/CNMR Predictor, and ACD/2D NMR Predictor. Because it includes all of these software products it can process and database 1D and 2D NMR, MS, Chrom, and UV-IR data. In addition it can be used to predict 1H and 13C NMR spectra.

What it doesn’t do: It cannot perform the high-throughput verification and quantitation that is available in 1D and 2D NMR Expert.

Finally, ACD/1D NMR Manager has a couple of additional database add-ons. In order to have access to these databases, users must have a copy of ACD/1D NMR Manager:

ACD/Polymer Database: It is a pre-built database for ACD/1D NMR Manager users that contains the assigned 1D NMR spectra for over 430 polymer compounds. Because it is a 1D NMR Manager add-on, it uses all of the NMR Manager searching capabilities.

Chenomx Metabolite Database for ACD/Labs
:  It’s another pre-built database for 1D NMR Manager users who wish to access the Chenomx library containing 800 MHz 1H NMR spectra of 265 of the most common metabolites found in urine and blood.

Aldrich NMR Library for ACD/Labs: One more pre-built database for 1D NMR Manager users that provides access to the 1H and 13C NMR spectra of over 15,000 Aldrich compounds.

That’s it! Whew!….I hope that is useful for someone out there.

In addition to all of these products, many of them integrate with each other to bring very useful workflows for specific end-users. I’ll save that topic for another entry. 

P.S. All of the products mentioned above also include ACD/ChemSketch a chemical drawing package.