ACD/Labs is a leading provider of scientific informatics technologies to R&D organizations that rely on analytical data and molecular information for decision-making, problem-solving, and product life cycle control. Our software automates and accelerates molecular characterization, product development, and knowledge management. We integrate with existing informatics systems and undertake custom projects, including enterprise-level automation.


ACD/Labs serves a wide range of markets and industries with its advanced chemistry software solutions, including Pharmaceuticals and Biotechnology, Chemical Manufacturing, Academic and Research Institutions, Environmental Analysis, Food and Beverage Industry, Forensic Science, Petrochemical and Energy Industries, and Materials Science.

It’s Time for Your Software to Support Your Science

Scientific research has unique software needs, but R&D teams often find themselves contriving in-house solutions

or making do with software that doesn’t think like a chemist.

ACD/Labs software is designed with scientific tasks and workflows in mind, so you can…

  • Communicate Your Science
  • Streamline & Automate Complex Workflows
  • Understand Molecular Behavior
  • Support Decision-Making in HTE & CMC
  • Extract Answers From Analytical Data
  • Share Knowledge & Enhance Collaboration

Expert System

AutoChrom is an automated software solution that offers efficient peak detection, integration, and quantification for chromatographic data, saving you time and reducing manual effort.


AutoChrom helps experts develop chromatographic separations using QbD principles. It uses a workflow-based structure to streamline and track a project so you can:

  • Begin with reasonable starting conditions and columns
  • Define a strategy and implement it with help from software wizards and assistants
  • Automatically run experiments for screening and optimization
  • Model your separation in 1D, 2D, or 3D
  • Document the reasons for your decisions and database your projects for future learning

View your project from your dashboard. See the workflow strategy, the specific experimental steps, and your instrument configuration.

Optimize your separations in 1, 2, or 3D.

Structure ID Suite leverages advanced algorithms and extensive databases to match experimental data with known structures, facilitating rapid identification and characterization.

MS Workbook Suite streamlines your mass spectrometry data analysis workflows. From data processing and interpretation to spectral searching and library management, this comprehensive suite of tools has you covered.

NMR Workbook Suite is used for processing, analyzing, and interpreting NMR spectra, enabling precise structural elucidation and characterization.

Structure Elucidator Suite combines powerful algorithms and spectral data analysis to assist in the determination of chemical structures from spectroscopic data.

Analytical Prediction & Simulation

Method Selection Suite offers tools for method optimization, selection, and validation, helping you achieve optimal analytical performance and efficiency.

MS Fragmenter employs algorithms to accurately predict fragmentation patterns and ionization pathways, thus enhancing the interpretation and analysis of mass spectrometry data.

NMR Predictor predicts chemical shifts, coupling constants, and multiplicity patterns using spectral prediction algorithms, allowing researchers to simulate and analyze NMR spectra with confidence.

Structure Drawing

ChemSketch simplifies the process of creating chemical structures, reactions, and diagrams. This intuitive drawing tool is perfect for students, educators, and researchers looking to visualize and communicate chemical concepts effortlessly.