ADME Boxes v 4.0

ADME Boxes predictors are desktop software modules based on exacting data analyses and carefully built expert models for calculating vital properties.

Our models seek to explain the reasons behind phenomena using statistics in combination with expert knowledge and scientific intuition, as good statistics alone do not guarantee an accurate result.

Most of ADME Boxes modules combine several such independent models, based on sometimes even independent data sets, which along with experimental data for the most similar compounds seek to provide maximum information for the decision, a consensus of all the results being a perfect suggestion it would be the right one.

Other features:

• Straightforward and browser-like interface
• Reference Compound Dictionary - search or enter a chemical name to calculate properties for reference structure
• Instantly display a look-up of up to 5 of the most similar structures from training set with literature data and references
• Provide no-nonsense reliability estimates for all calculations in the form of either a confidence interval or a summary of how the algorithm performed the calculation
• All single structure calculations are available in batch mode from Batch Calculations module

ADME Boxes can be used separately or as a complete package.

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Need a user's guide to get started? Click here to download.

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