Sentence examples for compound were calculated from inspiring English sources

The 13C nuclear magnetic resonance (NMR) chemical shifts of the title compound were calculated using the keyword NMR in the RHF and DFT calculation at the B3LYP level with 6-31G d,p) basis set.

The analytical characteristics of each compound were calculated and detection limits ranging from 2.3 to 74 mg l−1 have been obtained.

The electronic spectra of the studied compound were calculated by the TD DFT method.

The IC50 values of each compound were calculated by Reed and Muench's method.

The root-mean-square deviation between coordinates of all poses of each compound were calculated and used for hierarchical clustering.

The EC50 and LC50 values of each compound were calculated according to the records of anti-larval settlement experiments.

Removal efficiency for each compound was calculated.

Percentage of translation inhibition for each compound was calculated in triplicates from two independent experiments.

From the adsorption data, the adsorption energy distribution of each compound was calculated and the adsorption isotherm model was estimated.

The cell cytotoxic effect of each tested compound was calculated.

The % activity index for the compound was calculated by the following formula.