Sentence examples for compound structures from inspiring English sources

Close to 580 compound structures are here discussed in terms of their occurrence, structural type and reported biological activity.

573 SoLAs were generated from the all compound structures presented in the evaluation set.

The inspection of compound structures often requires chemical knowledge and understanding.

Our application visualizes compound structures and features in a virtual 3D space.

A common representation for the compound structures was found using the function StandardiseMolecules with default parameters.

Moreover, the software neither draws compound structures nor computes compound feature values.

In this screen-shot, the compounds are superimposed to compare the compound structures.

Extended Connectivity Fingerprints (ECFP) were employed to describe compound structures [55 58].

The optimized compound structures were obtained at HF/3-21G level of theory.

We found that complementary information from both methods improved the classification of compound structures.

The highly significant compound structures would be matches identified by at least two of the methods.