The PCA prediction scores and residuals can then be used to generate two common quality metrics for conveying the abnormality of the measured response namely the Hotelling statistic and the Q residual statistic, which are defined below [Pg.365]

Table 8.5 PREDICT score components, definitions, and risk computation. |

Figure 9. Random forest BBB predicted scores for molecules assigned as BBB+ and BBB — horizontal reference lines correspond to two decision thresholds. All predictions (scores) are for molecules not in the training set. |

Ha et al. [150] have shown that DOCK/PMF predicted scores correlate significantly with the measured binding affinities for the highest scoring binding modes of 61 stromelysin/inhibitor complexes [150]. [Pg.418]

Tab. 5.3 Correlation coefficients between the similarity-based and hypothesis-based activity prediction scores and experimental activity values, taken over the whole Cox2 inhibitor set and with |

Remove sample 1 from the dataset, and calculate the five nonzero PCs arising from samples 2-6. What are the loadings Use diese loadings to determine the predicted scores t =x.p for sample 1 using models based on one, two, three, four and five PCs successively, and hence the predictions x for each model. [Pg.270]

Robust epidemiologic evidence has identified an inverse relationship between HDL-cholesterol levels and CHD risk. Indeed, HDL-cholesterol is included in the Framingham CHD risk prediction scores (29). HDL-cholesterol protects against [Pg.160]

© 2019 chempedia.info