Sentence examples for virtual compounds from inspiring English sources

Since drug molecules can also be represented by computer models, it will eventually be possible to throw a huge range of virtual compounds at a virtual heart to see which, if any, have the desired effect.

Of the 250,000 virtual compounds, 410 (0.16%) were found to meet this criterion.

A total of 250,000 virtual compounds was generated and analyzed as described earlier.

Three candidates with the highest dockscore were used for De Novo Evolution and 24 virtual compounds were generated.

If new chemotypes are to be identified, virtual compounds can be assembled from scratch using de novo design [3] that, typically, generates thousands of potentially novel compounds.

Virtual compounds derived through enumerative combinatorics of simple atomic components have drug-like properties with ring assemblies that fall in new or under-represented areas of shape space.

Virtual screening technology permits rapid sieving through large screening compound collections and virtual compound libraries.

Figure 2 Lipid categories amenable to the combinatorial enumeration of virtual compound libraries.

Figure 3 Workflow for the template-based combinatorial enumeration of virtual compound libraries.

(A) KDS, DNP and enumerated virtual compound ring assembly sets with original alpha atom attachments allowed.

A variety of software packages are available for the combinatorial enumeration of virtual compound libraries.