Sentence examples for compound sets from inspiring English sources

While all compound sets have increased, PubChem has doubled to 14.2 million.

Automatically generated HTML, PDF and ASCII presentations of compound sets are identified by their set number.

These rules give us the active and inactive compound sets for AA and BA.

It also includes compound and document counts and the molecular framework breakdown for the compound sets.

Our breakdown of the compound sets into molecular scaffolds provides a useful measure of target-specific chemical tractability.

Additional property distributions and details of definitions used in selecting active/inactive compound sets, as described in the text.

Structural similarity to these natural ligands was the basis for selection of the compound sets in the two publications.

Particular attention is paid to methods for selecting compound sets enriched in GPCR ligands which encompass library design.

DFP take advantage of these facts to extract the general pattern of molecular information contained in chemical compound sets represented with any binary fingerprint.

We create the compound sets using the virtual screening dataset of CDK2 comprising 80 active compounds and 15000 decoy compounds [47].

Bayesian modelling is biased towards compound sets displaying clear SAR, i.e. actives that are part of a series of chemically similar compounds.