Sentence examples for molecules are predicted from inspiring English sources

As part of medicinal chemistry design, the properties of the molecules are predicted and decisions are taken based on those predictions.

Outer-sphere complexes (i.e., ion pairs bridged by water molecules) are predicted to be comparable in Gibbs free energy to inner-sphere complexes for a model carboxylic acid.

The overall interactions between the solute carbon atoms and solvent molecules are predicted to be repulsive in the present solvation model because eight and three of their eleven atom types have positive and small negative S i values, respectively, which is consistent with the immiscibility of hydrocarbons in water.

Because the 6d electrons are involved in bonding instead of the 7s ones, these molecules are predicted to be T-shaped and not trigonal planar.

These molecules are predicted to distort the IVR domain fold.

Collectively, these molecules are predicted to modulate the expression of many human genes.

The toxicity of all the shortlisted and designed molecules was predicted.

At the end of each iteration, chemical shifts for the test molecules were predicted and compared with the observed values.

Some of our designed molecules were predicted to have comparable or even better binding affinities than that of Tamiflu.

Based on these results, finally 26 chemo-types molecules were predicted as new, potential and structurally diverse PfDHODH inhibitors.

The pharmacokinetic profile of all the molecules was predicted by means of six pre-calculated ADMET models provided by ADS 2.5 software.