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ChemDraw is Better with Industry-Leading Design, Prediction, and Analysis Tools

 

Turn Your Structures into Confident Scientific Decisions

ChemDraw is the standard for chemical drawing. Now extend your workflow with best-in-class tools for analytical data processing, NMR prediction, and molecular property calculation—so your team can design better, analyze faster, and verify structures more confidently.

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Exclusive Savings for ChemDraw Users

Existing ChemDraw users new to ACD/Labs can take advantage of discounted pricing on the bundle that suits your workflow.

ChemDraw

Experiment Essentials

Confidently Verify Structures in Less Time

  • Spectrus Processor
  • NMR Predictors

Decision Support Essentials

Make Data-Driven Decisions in Early Research

  • Spectrus Processor
  • NMR Predictors
  • Percepta Suite

Upgrade Your Workflow with ACD/Labs Software

Spectrus Processor™

Process, Analyze, and Report All Your Analytical Data in One Interface
  • Process NMR, LC/MS, GC/MS, HPLC, IR, Raman, DSC, TGA data, and more
  • Interpret your data quickly and efficiently with built-in tools to assist
  • Assemble results from multiple experiments in one dashboard
  • Search in-house and commercial spectral libraries
  • Report your results and prepare publication-ready analytical data

NMR Predictors™

Make Fast, Confident Decisions from NMR Data
  • Predict 1D and 2D NMR spectra for 1H, 13C, 15N, 19F, 31P nuclei from structures—including complex molecules and mixtures
  • Compare predicted and experimental spectra with one click
  • Take advantage of AI/ML and HOSE code algorithms for superior accuracy
  • Work confidently in novel chemical spaces by training with your own data

Percepta Suite™

Gain Insight into Structure-Property Relationships and Support Lead Optimization
  • Predict a wide range of molecular properties from chemical structure
  • Train modules with your own experimental data
Physicochemical
  • Aqueous Solubility
  • Boiling Point/Vapor Pressure
  • LogD
  • LogP
  • pKa
  • Sigma
ADME
  • Blood Brain Barrier Permeation
  • Cytochrome P450 Inhibitors
  • Cytochrome P450 Substrates
  • Distribution
  • Maximum Recommended Daily Dose
  • Oral Bioavailability
  • Passive Absorption
  • P-gp Specificity
  • PK Explorer
  • Regioselectivity of Metabolism
Toxicity
  • Acute Toxicity
  • Aquatic Toxicity
  • Endocrine System Disruption
  • Mutagenicity
  • Health Effects
  • hERG Inhibition
  • Irritation

 

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Trusted by Scientists Worldwide

  • Takeda
  • Sutro Biopharma
  • Sprint Biosciences
  • PPG Industries
  • FMC Corporation
  • Pfizer
  • Novo Nordisk
  • Neurocrine Biosciences
  • Eurofins
  • Sai Life Sciences
  • Dupont
  • Bristol Myers Squibb
  • AstraZeneca
  • Amgen
  • Sanofi
  • Apotex
  • Concept Life Sciences
Customer Reviews
“Over the past decades, both myself and my colleagues have run some comparisons […] and our conclusion is always the same: that ACD/Labs gives more accurate [NMR] predictions than others. ”

Yiyong He
DuPont

“Using ACD/Labs NMR Predictors allows us to efficiently and reliably carry on with our verification workflow and greatly save time in the process.”

Robert Marti
PPG

“We have been using Spectrus Processor to analyze our chemical and analytical data. The ability to review data from multiple analytical techniques in a single environment has been most beneficial for us. The interface is very user-friendly and the transition from our previous combinations of software was exceptionally smooth.”

Dr. Karen Yuen
OTI Lumionics Inc.

“Spectrus Processor is a really powerful tool for processing NMR, MS, IR, and chromatographic data. It is very user-friendly and intuitive. One of its major strengths is that it is independent of the instrument manufacturer.”

Dr. Rainer Ebel
University of Aberdeen

“The best in silico toxicity software I have used. It was very easy to use, and a lot of information could be obtained.”

Tim Tam
Apotex

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