ACD/Labs software Trial

As part of the exploration of our spectroscopy offering PSDS were excited to offer a national trial of the ACD/Labs software from Advanced Chemistry Development, Inc. that ran from the 15th April - 23rd June 2021. ACD/Labs offer a variety of powerful software solutions in spectroscopy, property prediction and data management to boost the productivity of R&D.

    Final Evaluation

    Registration for the ACD/Labs trial has now closed. If you have taken part in our trial at any point or use ACD/Labs software through your own license we would really appreciate you taking a few minutes to complete our final evaluation form to help us assess this software resource!

    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.
    ACDLabs Evaluation

    What was the trial?

    PSDS evaluated the ACD/Labs 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 was made up of two 5-week evaluation periods where participants were provided with licences for a variety of desktop cheminformatics software.
    • At the 5 week and 10 week points participants were 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 invited all students and staff from any UK research institution to join our free trial of this software.


    This trial gave 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.


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

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