Precomputed GUSAR models

The GUSAR software optionally includes ready-trained GUSAR models (SAR bases) for predicting certain biological activities. These are SAR bases that can be used with the GUSAR program for predictions on acute rat toxicity, acute mouse toxicity or antitargets (off-targets).

The acute rat or mouse toxicity SAR bases can be used for in silico prediction of LD50 values for rats or mouse with four types of administration.

A quantitative prediction of antitarget interaction for chemical compounds can be done with the other SAR base. The QSAR models for the set of 32 activities (using IC50, Ki or Kact values) includes data on about 4,000 chemical compounds interacting with 18 antitarget proteins (13 receptors, 2 enzymes and 3 transporters).

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