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Software for Academia

Virtual Teaching and Research Enabled with ACD/Labs Software Tools

ACD/Labs has supported academia with software for teaching and research for more than two decades. Read about software that is available for individual classroom/laboratory instruction or site-wide deployment at your institution for research and education.


  • Conveniently process and interpret analytical data away from the instrument, and maximize experiment time at the instrument
  • Use prediction tools to gain insights, aid data interpretation, focus experiments, and speed research
  • Create professional reports, presentations, and publication-ready figures to help communicate your research


  • Prepare students for today's workplace with an introduction to industry-standard scientific software
  • Use simulation tools in the absence of hands-on access to laboratory equipment and instruments
  • Create rich teaching materials for virtual classroom/virtual laboratory instruction and online study

Foundational Software for Science

Structure Drawing

Quickly and easily draw all kinds of chemical structures including polymers, organometallics, and Markush structures with ACD/ChemSketch Freeware. The software optimizes spatial configuration and also lets you view structures in 2D or 3D. Generate IUPAC nomenclature for molecules with fewer than 50 atoms and 3 ring structures.

A site license installation of ACD/ChemSketch is available free for academic institutions.

Chemical Nomenclature

Generate systematic names from chemical structures according to IUPAC nomenclature rules, and creates chemical structures from systematic, trade, and trivial names, and registry numbers with ACD/Name.

Need a simpler version? ACD/Name (Chemist Version) offers a standardized set of features for quick and simple generation of IUPAC names, and structures from names.

Create A Virtual Laboratory or Empower Research

Analytical Data Processing

ACD/Spectrus Processor is an all-in-one analytical data processing and chemical characterization tool for NMR, LC/MS, IR and more. Handle analytical data from various vendors in one streamlined interface and free-up valuable instrument time for more experiments.

Use Spectrus Processor with students for hands-on analytical data processing in the absence of instruments.
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Process, interpret, analyze, and review all analytical data in one interface with ACD/Spectrus Processor
Process, interpret, analyze, and review all analytical data in one interface

Prediction and Simulation Software

ACD/Labs' provides a variety of prediction and simulation software that can help with experimental planning, provide researchers and students with insights for a deeper understanding of concepts, or create a virtual lab due to time or resource restrictions.

ACD/NMR Predictors
Predict chemical shifts, coupling constants, and spectra for a variety of 1D and 2D NMR applications to help speed spectral interpretation or create learning materials.
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ACD/MS Fragmenter
Interpret mass spectra more efficiently by visualizing fragmentation and fragmentation pathways based on structure, or teach mass fragmentation with visual aids.
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ACD/Method Selection Suite
Simulate separations parameters to generate robust separations quickly; or help students learn method development with hands-on in silico simulations for a better understanding of inter-related concepts.
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Reduce experimental scope, design novel compounds with desired profile, or help students understand the complex relationships between chemical structure and physicochemical and ADME properties, and Toxicity endpoints.
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Looking for an Electronic Laboratory Notebook (ELN)?

All the functionality you need from an electronic lab notebook for academia is available in Spectrus DB with the added capability of handling multi-technique analytical data.

  • Electronically document experiments, reactions, chemical schema, literature references, and other data
  • Link processed, interpreted analytical information from a variety of techniques with experimental information
  • Prepare data for publication in minutes
  • Create a searchable repository of experimental knowledge for your research group

Advanced Tools for Researchers

ACD/Labs innovative software packages aid the research and development in a wide range of fields of study.

ACD/Labs Spectrus Workbooks offer a unique and powerful set of features to perform advanced processing and interpretation at your desktop, based on analytical technique. Store and share your research easily with powerful databasing capabilities. Read more

Extract chromatograms and screen the list of components to identify known and 'known unknown' compounds

ACD/Structure Elucidator empowers researchers to quickly characterize chemical structures using experimental data, for complex molecules such as natural products. Read more


Downloadable software for drawing chemical structures, reactions, and more. Calculate molecular properties, create template reports, and name structures up to 50 atoms. Free for academic and personal use.
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Reproduction of the 1993 and 1979 Nomenclature of Organic Chemistry. IUPAC Recommendations and Preferred Name (Blue Book).
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Downloadable software to be used in conjuction with the book 'Computer-Based Structure Elucidation from Spectral Data', by M. Elyashberg and A. Williams. For teachers, students and scientists looking to gain a deeper understanding of CASE.
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Online Reference

ACD/I-Lab is an online prediction engine for physicochemical properties, NMR spectra and chemical shifts, and ADME properties and toxicity endpoints. All predictions are provided through a credit-based system.
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Coding can take scientists from participants to owners of their data. More and more it is becoming clear that every organization needs to employ workers with data science skills. As more scientists become data scientists, the move towards digitalized data will accelerate.
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The pharmaceutical and chemical industries have changed a lot in recent decades—has chemistry education kept up? Join us in this podcast for insightful perspectives on the future of chemistry, as well as stories of how Lego can be used to teach programing.
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