Sentence examples for molecules was calculated from inspiring English sources

The graft density, δ, of the immobilized initiator molecules was calculated using Eq. 2from the thermo-gravimetric analysis data and was found to be 8.6 molecules/nm2.

The binding energy (Ebind) between the iron surface and the inhibitor molecules was calculated as follows[69, 70]: E Bind = E total − ( E mol + E Fe ) Open image in new window (9).

To find out the parameter conclusively influencing the ability of catalytic destruction of oxidized compounds, the atomic excitation energy, as well as the dissociation energies of CCl and CH bonds in oxidized molecules, was calculated.

The similarity between the reference compound 1 and the test molecules was calculated using four different 2D fingerprints: atom pairs (AP) [20], circular fingerprint [21] with radius 2 as bit vector (Morgan2) and as count vector (CountMorgan2), and feature-based circular fingerprint [21] with radius 2 as bit vector (FeatMorgan2).

The fluorescent signal corresponding to the internalized molecules was calculated considering the IF values from the whole z stack excluding the slices corresponding to surface staining.

The actual number of template molecules was calculated by the direct counting of the number of positive wells followed by correction for the Poisson distribution (File S1).

In this study, the molecular descriptors for the 48 molecules were calculated by the second development software based on the calculator plugins, which is a product of ChemAxon [ 34].

The theoretical charge distributions for the template and some potential interfering molecules were calculated.

Relaxation times of auxin molecules were calculated using MestReC NMR Processing (v. 4.9.9.9) and Origin (v.6.1) software.

The binding energies of the hydration shell with six water molecules were calculated.

Further, the hepatotoxicity level of all the molecules were calculated, the molecules with liver toxic nature were filtered out.