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See an overview of Katalyst D2D

Katalyst D2D Overview Video

High Throughput Experimentation Made Easier Than Ever Before
with Katalyst D2D


Katalyst D2D (Design to Decide)

Is a web-based software application that offers automated planning, execution, and analysis of high throughput experimentation in a single interface.

The result is comprehensive process development and execution, enabled by live analytical data.

Why Katalyst D2D?


Katalyst automates manual tasks and eliminates transcription between the multiple systems you are currently using to plan and execute high throughput and parallel experiments—array-based chemistry or parallel synthesis.


Katalyst is purpose-built to automate and analyze your entire high throughput and parallel chemistry workflow in one interface. It helps you design, plan, and execute array-based experiments by integrating with your lab automation—informatics systems and laboratory hardware.


Katalyst will help automatically analyze and assemble all your analytical data, from entire studies, in one place. So, you can comprehensively get from Design to Decide in one application.

Design high throughput and parallel chemistry experiments in minutes

Simply ‘drag and drop’ pre-defined material classes (reagent, catalyst, ligand, solvent, etc.) into the Reaction Scheme to create your experimental design. Conveniently save and share experimental designs as templates to get a head start the next time around.

Plan high throughput experiments effortlessly

Because Katalyst lets you specify your lab automation equipment (reaction vessels, dispensing equipment) and unit operations, experiment planning is an easy process of ‘drag and drop’.

Bring all your material sources together. Connect Katalyst to corporate inventories, external third-party sources, and the ad-hoc materials and pre-dispensed plates you currently struggle to manage.

Once you have your materials sourced, define material locations, quantities, and concentrations for stock solutions and reaction arrays.

Easily review and confirm your experiment plans using both array-based visual layouts, and step-by-step instruction lists.

Execute high throughput experiments with ease

Katalyst can be configured to integrate with your networked hardware, laboratory execution systems, and lab automation equipment.

Do you dispense materials manually or via lab automation/robotics?

It doesn’t matter! Katalyst will generate machine-readable files for import into your instrument software, send instructions directly to instruments, or simply generate a report with step-by-step instructions for weighing materials and preparing reagent stock solutions.

When your synthesis is done, Katalyst helps you plan downstream sample preparation for preparative chromatography, registration and inventory, and high throughput analysis.

Katalyst will prepare instruction lists for analytical instruments and associate the results with each respective well in your high-throughput experiment.

Analyze too – Smash the bottleneck of high throughput analysis

Instead of painstakingly reviewing chromatograms well-by-well and making notes separately, let Katalyst do the work for you!

Katalyst automatically performs chemically aware analytical data processing, interpretation, and association of results to the original array design. So, you can easily identify optimal conditions, trends, or whatever answers you seek in your experiment.

For the times when automatically processed data needs further refinement, Katalyst offers you the ability to reprocess analytical data on demand.

Vendor agnostic, multi-technique analytical data handling, made possible by the ACD/Spectrus Platform, means that Katalyst natively integrates with your HPLC, UHPLC, LC/MS, and NMR spectrometers.

Learn more about ACD/Spectrus Platform

Decide with confidence using Live Analytical Data

Visualize analytical results linked with the vessel or by well-plate location in your high throughput experiments with ease.

Compare chromatograms, spectra, and other analytical data for various parallel synthesis variants in the same interface

Export to a variety of document formats

(PDF, Microsoft Office Word/Excel/PowerPoint) and integrate with systems.

Beyond Katalyst D2D

Designed to easily integrate into your existing informatics infrastructure

Free up your time for reaction optimization and scale up your chemistry faster—screen optimal catalysts, solvents, and reaction conditions instead of transcribing between systems or copy/pasting.

Systems that integrate with Katalyst



Learn More About Increasing the Efficiency of Your High Throughput and Parallel Experimentation

What’s New in Katalyst D2D v2021

Version 2021 of Katalyst D2D adds new features, including the ability to import designs from third-party DoE software and an improved user interface. Read below for details, and contact us for help upgrading your software.

New Capabilities in Experimental Design

Import experiment designs from DoE software

  • You can now import experimental designs created in third-party DoE software (e.g., JMP)
    • Import generated design files
    • Specify variable and non-variable factors

Procedure reports

  • Review dosing patterns in a table
  • Choose to report only the information you need for manual steps

Tools for Administrators

  • Reorder and manage operations and layouts for users
  • Run a check on the application environment, review a report of any problems and steps to resolve them

Improved Features

General Usability Improvements

  • We re-designed the Material Query for ease of use
  • Export the reaction library as an Excel file
  • Review combined LC/MS and NMR results

Data visualization

  • Display calculated parameters on heatmaps and plots
  • Filter which component annotations are displayed on spectra

See it for Yourself!

Katalyze high throughout experimentation, from Design to Decide

Advanced Chemistry Development, Inc., specializes in software for small molecule chemistry R&D. ACD/Labs provides enterprise solutions for analytical data handling and knowledge management; molecular property modelling and property-based design.

Advanced Chemistry Development, Inc.

8 King Street East, Suite 107,
Toronto, Ontario, Canada
M5C 1B5

Toll Free: 1-800-304-3988 (USA & Canada)
Tel: 1 (416) 368-3435

European Head Office

Advanced Chemistry Development UK Ltd.

Bracknell, Berks, UK


Advanced Chemistry Development (ACD/Labs)

Frankfurt Germany


Advanced Chemistry Development (ACD/Labs)

Strasbourg, France


Advanced Chemistry Development (ACD/Labs)

Pudong, Shanghai, China

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