Sentence examples for classification of compounds from inspiring English sources

In fact, no general agreement had been reached among chemists as to the classification of elements for nearly half a century after the systems of classification of compounds had become established in general use.

Structure-based automatic classification of compounds into classes.

SODIAC is a well-designed commercial software package that permits very rapid and consistent classification of compounds.

The classification of compounds into these two kingdoms aligns with most modern views of chemistry and is easily performed on the basis of a compound's molecular formula.

Automated classification of compounds is possible using a hierarchy of chemical classes that are defined by a logical combination of SMARTS expressions.

One such method is classification of compounds based on their molecular scaffolds, a concept widely used by medicinal chemists to group molecules of similar properties.

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

In addition to examining the structural classifications of compounds, specific motifs prevalent in the database were also looked at.

Additional file 4: S-Data 4. Structural classifications of compounds within SANCDB, by source organism and by use.

Classification of chemical compounds into compound classes by using structure derived descriptors is a well-established method to aid the evaluation and abstraction of compound properties in chemical compound databases.

Aligning fragmentation trees allows for an automated classification of unknown compounds into compound classes.