Sentence examples for classification of compound from inspiring English sources

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

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.

A classification of compounds into those that decompose and do not decompose during melting could help to identify both classes of compounds.

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.

Biomarkers selected from the pooled and separate design performed equally in classification of compounds to their class and relevant processes were found enriched in both designs.

MeSH and recently ChEBI are examples of chemical ontologies that provide a hierarchical classification of compounds into general compound classes of biological interest based on their structural as well as property or use features.

Despite of the previously done comparisons between natural product compounds and synthetic ones, here we present a general comparison of all elements and atom types for an advanced classification of compounds from different resources.