Sentence examples for molecular properties such from inspiring English sources

However, there is little information on antigens with differences in molecular properties such as net charges and molecular weight.

The model is able to predict average molecular properties, such as the average molecular weights and copolymer composition.

Whole molecular properties such as physicochemical properties are easy to interpret and are the basis of several drug- and lead-like empirical rules [9, 10].

In addition, 23 computed molecular properties (such as molecular weight, logP, pKa, molar refractivity, PSA, numbers of rotatable bonds and stereocentres etc).

These algorithms implement different prediction strategies or they use molecular properties, such as the bonds with hydrogen atoms or the use of the stereochemistry to predict atom mapping.

Matched molecular pairs (MMPs) have previously been used to extract chemical transformations and study their effect on molecular properties such as activity [1, 2].

Molecular fingerprints are given as bit vectors with each bit describing the existence of certain molecular property such as substructures in the molecule.

Topology descriptors are those invariants calculated from molecular topological structure, which have been successfully used for predicting molecular physicochemical properties, such as boiling point and retention index etc.

The high cation exchange and molecular sieve properties, such as zeolites, have been widely used as adsorbents.

It is known that the directional diffusion effect is determined by molecular dynamic properties, such as potential barrier and substrate temperature, but quantitative understanding is not given until now.

On the basis of these results observed on the three datasets, it would be of interest to combine other molecular surface properties such as electrostatics and hydrophobicity that are captured implicitly by the atom environments used in SIMCOMP and Molprint-2D.