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The developed QSAR model can be used to predict existing as well as future chemicals falling within the applicability domain of the model in order to reduce the use of animals.
This research entails the use of 112 anticancer compounds from NCI database to develop QSAR and QSTR models that could be used to predict the activity and toxicity of newly designed compounds which are within the applicability domain of the model.
The following results consider only the compounds within the applicability domain of the CAESAR model (see the Experimental section).
Chemicals within the applicability domain which could not be assigned to one of the MoA classes were grouped in MoA5 according to the algorithm of the OECD toolbox.
The objects with the Euclidean distance to the central neuron which is smaller or equal to the limiting Euclidean distance are within the applicability domain.
Comparison of the experimental logBCF values and the predicted ones using the CAESAR model (chemicals within the applicability domain), for the training, validation and external sets.
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Within this contribution the applicability of the process for the production of spherical polymer microparticles will be outlined.
Within this study, the applicability of structural similitude theory in design of partially similar composite structures is demonstrated.
The evaluation of whether or not a model is capable of correctly predicting the toxicity of chemicals is of course also addressed within the issue of the applicability domain.
This pattern was disrupted in the ASD group, indicating abnormal functional specialization within mrPFC, and demonstrating the applicability of multi-voxel pattern analysis to investigations of atypical populations.
Moreover, by focusing on FSW services in Africa as a whole, we have not accounted for the high level of heterogeneity in socio-political contexts between and within countries, thereby limiting the applicability of our conclusions.
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