Release of QSAR Toolbox 4.7: Major Update with Enhanced Functionality

The latest version of the QSAR Toolbox, version 4.7, was released on 12 July 2024. The QSAR Toolbox is a freely available software developed by the European Chemicals Agency (ECHA) and OECD Environment and implemented by the Laboratory of Mathematical Chemistry. This major update introduces improvements in several aspects to provide users with a more powerful and efficient tool for predicting chemical toxicity and environmental fate.

Key Highlights and Improvements

Key highlights of QSAR Toolbox 4.7 include:

Database and Inventory Updates: The new version includes numerous updates and corrections to existing databases and inventories, as well as the addition of new chemicals and data points, improving the completeness and accuracy of the information available.

User Interface Enhancements: Improvements to the user interface allow for better presentation of observed metabolites and more intuitive navigation.

Enhanced Profiling and Simulation: Changes have been made to the Toxic Hazard Classification by the Cramer Profiling Scheme, along with updates to 21 profilers and several metabolic simulators, enhancing the predictive capabilities of the software.

Improved Reporting and Documentation: QSAR prediction and justification reports have been modified to comply with the OECD Quality Assurance Framework (QAF) guidelines, providing more detailed and customable reporting options.

Performance and Usability Improvements: Improved task management, better handling of larger datasets, and new features in the workflow editor contribute to improved performance and usability.

Enhanced Regulatory Support and Additional Features

In addition, the new version supports the mapping of seven additional OECD Harmonized Templates (OHTs) related to various physiochemical properties and endocrine disruptor tests. Updates to the TEDRA plug-in and enhancements to data gap filling workflows further extend the functionality of the tool.

QSAR Toolbox 4.7 is designed to meet the evolving needs of researchers, regulatory agencies, and industry professionals and provides a robust and reliable platform for chemical risk assessment and regulatory compliance.

The release notes for QSAR Toolbox 4.7 can be found here.