Sentence examples for molecules were predicted from inspiring English sources

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.

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

Binding affinities to the MHC class II molecules were predicted using NetMHCIIpan version 1.0 [10], and N- and O-glycosylation sites were predicted using NetNglyc [11] and NetOglyc [12].

Similarly, ChEMBL dataset contained 1251913 molecules, only 72.43% (906791 molecules) were predicted to have drug-like properties (http://crdd.osdd.net/oscadd/drugmint/data/chembl.csv).net/oscadd/drugmint/data/chembl.csv

CD28, CD86, and ICOS, which are important co-stimulatory molecules, were predicted to be targets of miR-204, miR-133a/miR-133b, miR-331-3p miR-331-3p miR-331-3p0].

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

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

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

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.