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Current Software Versions

What’s New in Tox Suite Version 2022

Version 2022 of Tox Suite adds new features. Read below for details, and contact us for help upgrading your software.

30% Increase of the hERG Inhibition Module Training Library

  • You can now predict hERG inhibition for drug-like compounds with greater confidence. The internal self-training library of the hERG Inhibition module (GALAS predictor) has been expanded from ~6700 compounds to ~9400 compounds.
    • The new data represents novel congeneric series from recent lead optimization studies expanding the applicability domain of the algorithm for many new classes of drug-like compounds

Quantitative Prediction of hERG Inhibition Using Physicochemical Property Values

  • When you use the physicochemical predictor, you can now quantitatively predict hERG inhibition, previously the prediction was probabilistic.
    • The predicted value is an estimate of the half-inhibitory constant (IC50) in µM
    • The heatmap helps you visualize hERG inhibition propensity in terms of estimated pIC50 values
      Tox Suite v2022

Import Training Libraries in All Major File Types

  • You can now import training libraries into ADME Suite using the following file types, in addition to SDF:
    • Tab-delimited text (*.TXT)
    • Comma-separated value (*.CSV)

      Import training libraries in .TXT, .CSV, and .SDF formats.

Ease of Use Improvements

  • We have streamlined “Context Help” to reduce the overlap between configurable extended tooltips and standard hints