Version 2024 of Tox Suite includes enhancements to the Ames Test and Aquatic Toxicity predictors, improving the accuracy and reliability of predicted data, among other features. Read below for details, and contact us for help upgrading your software.
Improvements to the Ames Test Predictor
You can now expect improved accuracy and reliability of the GALAS model for predicting genotoxicity, including an extension of the self-training library with more than 100 compounds representing:
- Recently approved drugs
- Food additives
- Known impurities in pharmaceutical products
Improvements to the Aquatic Toxicity Modules
You can now have greater confidence in the accuracy of Daphnia and Tetrahymena predictor models due to significant expansion of the self-training libraries using the GALAS model.
- The LC50 (D. magna) library now includes over 1700 compounds (a 200% increase)
- The ICG50 (T. pyriformis) library now includes over 1200 compounds (a 10.5% increase)
Improved ADMET Profiler Reports
- You can now present a formatted tabular view of prediction results including raw prediction output, color-coded classification results, and comments outlining the applied rules that led to the obtained classification
Updated Reporting Templates
- You can generate compliance reports with confidence as the QPRF report templates have been updated to v2.0 in full accordance with the QAF checklist
- QPRF coverage has been extended to all three endpoints of the Aquatic Toxicity module including:
- LC50 (Fathead minnow)
- LC50 (Daphnia magna)
- IGC50 (Tetrahymena pyriformis)
Improved Batch Reporting
- You can now automatically save all individual reports as a .zip file, preventing duplication of file names
Improved Export of Data
With the latest update you can now:
- Export your data in the .xlsx file format
- Export molecular structures as vector images which offers better scaling support
- Include atom numbers with structure images, so you can analyze atom-specific properties more easily
Convert Units in Calculations
- You can now easily configure the software to convert certain units of calculated values to user-specific dimensions by default (for example converting concentration from molar to mass)
Create Batch PDF Reports
You can now generate batch PDF reports from each module in Tox Suite, for all molecules in your active project. Previously, batch reports were only available from the Spreadsheet, including the values available there.
Unicode Support
You can now store textual data, written in your local language, in the spreadsheet.
ACD/Labs’ development team is eager to collaborate with organizations to improve predictions for novel compounds. Do you have accurately measured experimental values for the predictions we support? Contact us to discuss how we may work together.
Want to learn more?
Read more about the full features of Tox Suite, or contact us for help upgrading your software.