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Recent studies have shown that metabonomic methods are useful in the assessment of toxic mechanisms and prediction of toxicity [12, 13].
The results encourage to consider this alternative way for the prediction of toxicity using QSAR subset models without direct reference to the mechanism of toxic action or the traditional chemical classification.
This increases the reliability of the SAs for the prediction of toxicity.
These methods have played an important role in the field of efficacy prediction and the prediction of toxicity [13 17].
These substructure features are used to develop QSAR models for prediction of toxicity and various molecular physicochemical properties.
Based on the substance activity profiles, an attempt was made to generate a pattern for the prediction of toxicity in in vivo tests.
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We also show that under appropriate conditions, predictions of toxicity can be made based on EC50 values that contain kinetic information similar to that contained in predictions using Ki.
Often 'integrated test strategies' which combine in silico, in vitro, and in vivo methods allow the best predictions of toxicity in humans.
For some aldehydes, however, predictions of toxicity based on electrophilicity are less accurate due to inherent physicochemical variables that limit target accessibility, e.g., steric hindrance and solubility.
It was recommended that future efforts to develop test methods should emphasize mechanism-based methods that can provide improved predictions of toxicity.
Moreover, the intestinal microbiome is essential for determining the toxic response to pharmacological therapies, and the case of paracetamol permits pre-dose predictions of toxicity to be made [ 18, 59].
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