Sentence examples for compounds in test from inspiring English sources

Therefore, some polar sites of the compounds in test set 2 may bring impact on the final metabolic site rankings.

The ORAC assay was measured the capacity of antioxidative compounds in test materials to inhibit the decrease in fluorescence induced by the peroxyl radical 2,2′-azobis (2-amidinopropane) dihydrochloride (AAPH).

Division of dataset resulted in 11 compounds in test set while the rest 27 compounds in training set.

For the negative/vehicle control samples, we used DMSO in an amount equivalent to that used with test compounds in test samples.

We chose the common circular topological extended-connectivity fingerprint (ECFP) [32] to calculate the fingerprints for every compound in test and training sets.

Organic solvents, such as dimethylsulfoxide (DMSO) and methanol are widely used as vehicles to solubilise lipophilic test compounds in toxicity testing.

Figure 7 Predicted uncertainty as a function of the observed predictive error e. Filled stars correspond to compounds included in the test set, whereas open circles represent compounds in the test set.

On the other hand, the model classifies 100.00% of these compounds in the test set.

Our error analysis demonstrates that the deep learning performs very well, achieving an MAE of 0.050 ± 0.000 eV/atom; predicting with an absolute error of less than 0.120 eV/atom for 90% of the compounds in our test set (right).

The compounds in the test data set are depicted in the supplement [see Additional file 3].

bThe reference did not report the prediction results of all compounds in the test set.