Sentence examples for compounds we calculated from inspiring English sources

When we examined median risks from our study using U.S. EPA cancer potencies and the 1996 NATA (U.S. EPA 1996b), for most compounds we calculated higher risks.

Based on the best-fit regression functions of single compounds, we calculated expected effect concentrations for the ternary mixture in definite ratios.

To elucidate possible synergism between the two compounds, we calculated CI for a broad range of flavopiridol concentrations when combined with effective concentrations of ABT-737 (25 and 50 n).

For each of the 28 compounds, we calculated the average weighted score across all five crystal structures [see Supplemental Material, Table 1 (doi:10.1289/ehp.1001930)], and this score (average S ij ~ 15) was used as a cutoff for the classification.

Using the available growth inhibition (GI50) data for 41000 compounds, we calculated Spearman correlations for all pairs of gene expression and compound sensitivity patterns and assessed the ability of relationships nominated in the NCI60 to predict relationships in the test set of seven cell lines.

To select compounds, we calculate the Pearson correlation between the predicted probability for the phenotype of interest against the GI50 values of each of the compounds.

For each compound we calculated the ratio of its relative abundance in each 6-day-old fly (virgin or mated) and in the same fly at 4 days ("Post/Ante ratio").

We use four types of chemical features namely, MDL MACCS166 keys (fragmental descriptors) [8], ECFP6 fingerprints (extended connectivity fingerprint path 6) [9], 2D Pharmacophore fingerprints (PHFP4[10]0] and ROCS program which uses Tanimoto combo similarity which combines shape and color measures of a compound, we calculate them with ROCS program [11].

This paper is organized as follows: In the "Methods" section, the crystal structures of the compound that we calculated and the method of calculation are described.

In addition, the deprotonation of 5 at C-16 yields 3, and the nucleophilic attack at the C-14 position of 5 by water yields the novel compound 4. We calculated the steady-state kinetic constants of DtcycA and DtcycB when using GGDP as the substrate.

In order to determine the degree of bias of the compounds 1 and 12, we calculated their bias factors from the data sets in Figure 2 and Figure 3A,B as well as binding affinity values (Supplementary Figure S2) using the operational model.