ACD/Tox Suite

Software for the prediction of basic toxicity endpoints from chemical structure.

Now Shipping on the New ACD/Percepta Platform

With the release of our version 2012 software, our PhysChem, ADME, and Tox tools have been migrated to the new ACD/Percepta platform. Equivalent functionality to ACD/Tox Suite can now be found in ACD/Labs Percepta Predictors and ACD/Drug Profilers.

Existing software users, review our Release Version 2012 Information or contact ACD/Labs to discuss migration plans. This product was retired in June 2012; as per our End-of-Life Policy, technical support will be provided until June 2014.

ACD/Tox Suite is a collection of software modules that predict probabilities for basic toxicity endpoints. You can customize your prediction suite by choosing from a number of expert modules including hERG Inhibition, CYP3A4 Inhibition, Genotoxicity, Acute Toxicity, Aquatic Toxicity, Eye/Skin Irritation, Endocrine System Disruption, and Health Effects. Predictions are made from chemical structure and based upon large validated databases and QSAR models, in combination with expert knowledge of organic chemistry and toxicology. Click here for a full list of available modules.

New! Impurities Package for the Assessment of Genotoxic and Carcinogenic Risk

The Package for Toxicity Screening of Impurities in ACD/Tox Suite provides a battery of in silico tests to accurately assess the genotoxic and carcinogenic potential of impurities in drug products found to be below the threshold of toxicological concern, helping companies remain compliant with regulatory submission requirements.
Learn more.

Features

  • From simple structure input (name, 2D structure, or SMILES string), obtain predicted values with a reliability index
  • See a display of up to 5 similar compounds from within the training set with literature data and references
  • Perform calculations of large compound collections with batch modules
  • Access the related database in certain modules—fully searchable by a variety of parameters
  • Train select models with in-house data to better reflect proprietary chemical space, and improve prediction accuracy

Benefits

  • Reduce attrition rates with early in silico toxicity screening
  • Provide timely information to direct new compound synthesis
  • Focus animal testing requirements
  • Gain a clearer understanding of the toxicity profile of your compounds

Additional Resources

Learn more about each module and its capabilities.