Sentence examples for molecules were drawn from inspiring English sources

All molecules were drawn in the "Alternative Constitutions" module and submitted to the server.

Molecules were drawn from the Mcule Purchasable Compounds Database (~5 M compounds) [28].

An "All" category was also formed, where molecules were drawn regardless of size.

The structures of these molecules were drawn in Hyperchem molecular modeling and visualization tool (version 7.5) and the energies were minimized using ADS.

An "All" size class was also defined: in this case molecules were drawn from the whole Mcule database, regardless to size.

3D structures of the molecules were drawn, optimized and submitted to the calculation of molecular descriptors that enabled selecting different TR/TS set pairs, subsequently exploited to develop QSAR models.

In the direct visualization approach, molecules are drawn as individual entities.

Owing to the small molecule drawing engine 2Ddraw [3], molecules are drawn in a textbook-like manner following the IUPAC regulations.

A similarity graph view can also be used, whereby molecules are drawn in the form of a graph.

The UCD overcomes this problem by ensuring that molecules are drawn and stored in the exact same manner.

As a matter of fact, the total energy density, better than the Laplacian, defines sensible boarders of a molecule, see for example Figure 1, in which the H(r ) distribution of two approaching glycine molecules is drawn.