ACD/Labs software Trial

PSDS are excited to announce a national trial of ACD/Labs® software from Advanced Chemistry Development, Inc. ACD/Labs offer a variety of powerful software solutions in spectroscopy, property prediction and data management to boost the productivity of R&D.

PSDS are currently evaluating these products with the potential to offering it as a part of our national service which would provide free access to the UK academic community and we would like your involvement in assessing how this resource can help our users. 

  • This trial is made up of two 5-week evaluation periods where you will be provided with licences for a variety of desktop cheminformatics software.
  • See the What's Included? section below for a little more information on the software that is available in this trial.
  • At the 5 week and 10 week points you will be invited to provide feedback on the software to enable us to fully evaluate it. As a user your feedback is an invaluable part of this process. 
  • We invite all students and staff from any UK research institution to join our free trial of this software.
  • Please note: This software is only available on Windows operating systems or through virtualization on MacOS.

Trial Registration

You can register for the trial by visiting this registration page and completing the registration form. Upon completion of the registration form with a valid UK academic email address you will receive an email with instructions for download of the files.

Please note: You will need to be logged in to view this form. If you are not currently logged in please go to mypsds and login via institutional login or your PSDS username/password if you are unable to use institutional login.
Register Here


What's Included?

In this trial you will get access to the following ACD/Labs software:

  • ACD/Spectrus Processor - Process and interpret all analytical data in one common interface, including NMR, LC/GC/UV/MS, IR, and more.
  • ACD/NMR Predictor Suite - Quickly and accurately predict 1D and 2D NMR spectra, chemical shifts, and coupling constants for 1H, 13C, 15N, 19F, 31P nuclei. 
  • ACD/Percepta Suite - Get an in-depth understanding of structure-property relationships with ACD/Labs' fully powered predictive models for physiochemical and ADME properties, and toxicity endpoints.
  • ACD/Name - ACD/Name generates chemical names from structure according to IUPAC rules. You may also convert chemical names to structures.


You can find a short guide to how the licence and installation process will work on our 'Getting Started' page to help you out!

If you have any issues accessing or completing the registration process, or downloading the software files, please contact the PSDS team on

Training Sessions

ACD/Labs will be running a series of free online training sessions to support this trial. In these sessions they will provide an introduction to each piece of software, and answer your questions.

Tues May 4th 1pm - NMR Data Handling
Learn how to import, process, view and report NMR data using ACD/Spectrus Processor, as well as predict NMR spectra of single components and mixtures with ACD/NMR Predictor Suite.

Weds May 5th 1pm - LC/MS Data Handling
An overview of handling LC/MS data with a focus on importing data and structures, peak detection, and creating reports in ACD/Spectrus Processor.

Thurs May 6th 1pm - Optical and Curve Data Handling
Learn how to handle optical (UV, IR) and curve data (TGA, DSC, XRPD, and Raman) in ACD/Spectrus Processor. See tools for importing data and structures, processing, viewing results and generating reports.

Mon May 10th 1pm - Chemical Structure Drawing and Nomenclature
An introduction to chemical structure drawing and chemical nomenclature using ACD/Name. The features highlighted will include drawing, editing, and naming structures.

Weds May 12th 1pm - PhysChem Predictions
Learn how to predict physicochemical properties in ACD/Percepta Suite including viewing prediction results for logP, pKa, logD, and aqueous solubility.

You can register for these training sessions on the ACD/Labs trial webpage


This trial has been approved by the University of Southampton faculty ethics review under ERGO number: ERGO/FEPS/64054 - you can find the participant information sheet and data protection plan documents on the links above, or linked from the consent section of the questionnaires.

If you would like to provide any additional feedback on the trial outside of the questionnaires, please do get in contact via