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I remember reading the spring training predictions about Ichiro when I was in Arizona in March, visiting the Mariners' training facility and watching the preseason games and hearing Ichiro's arm described as 'above average' and his power at the plate as 'adequate.' And how many times have we seen Ichiro astound us with that arm?
The number of rules created and training predictions are presented in the Tables.
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Training prediction accuracy by all models is greater than 70%%.
As expected, the training prediction values of all three ligands then were under the top 1% of the ranked list of training prediction values.
The data was randomly divided to the training, prediction and validation sets.
The data were randomly divided into the training, prediction and validation sets.
The training prediction is calculated to know how well the model is trained with given input training data.
Interestingly, CDK FP required approximately 8-fold more time on training prediction models and database screening than MACCS.
The distribution of the efflux values in the final dataset is shown in Figure 1. Figure 1 Distribution of Efflux Values used for Training Prediction Models.
Comparing molecules is the basis for a wide range of applications such as searching in chemical databases, training prediction models for virtual screening or aggregating clusters of similar compounds.
To improve training prediction accuracy, iterative bootstrap aggregation, or bagging, combined with out of bag error estimation was used to reduce the training variance [ 53].
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