Sentence examples for compound structure and from inspiring English sources

At GVKBIO the relationships between these five entities of document, assay description, assay result, compound structure and protein target (D-A-R-C-P) are manually abstracted by a team of expert curators and transferred to document-centric relational databases.

For compounds, the item template shows the compound name together with a small image of the compound structure and a 3-star status that indicates whether the compound has been checked manually by the ChEBI team.

Similarly there has also been a remarkable increase in the amount of available compound structure and activity relation (SAR) data, contributed mainly by the development of high throughput screening (HTS) technologies and combinatorial chemistry for compound synthesis [3].

In addition, it may enable new ways of knowledge discovery for example by extracting relationships between compound structure and its properties, traditionally known as structure-activity relationships (SAR) or structure property relationships (SPR).

The relationship between these five entities of document, assay description, assay result, compound structure and protein identifier (D-A-R-C-P) can be manually extracted by expert curators and organised in a relational format, thereby converting unstructured to structured information.

SAR data show a clear relationship between compound structure and selectivity between the two rhomboids (Tables 1 and S3).

Chlorophenols are chlorinated aromatic compound structures and are commonly found in pesticide preparations as well as industrial wastes.

The calculated model not only elucidates the relationship between compound structures and biological activities but, more importantly, facilitates design of new Hsp90 inhibitors with calculated antiproliferative activity.

In addition, the similarity of compound structures and its relevance to biological activity are analyzed quantitatively, which highlight the applicability of the MCS-based methods in predicting functions of small molecules.

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

Then, PubChem and ChemIDplus were used to manually extract about 50 compound structures and molecular properties missing from DrugBank data.