Sentence examples for clusters of compounds from inspiring English sources
Furthermore, we show that pharmacophores derived from clusters of compounds resulting out of virtual screening could be useful probes for future structure activity relationship studies (SARs) and fine-tune the lead molecules identified.
There were six observed clusters of compounds on the dendrogram.
Compounds and clusters of compounds can be deleted and exported in standard file formats for further analysis.
That is, the 3-D SAR clusters (of compounds) were "indirectly" generated via 3-D clustering of their conformers.
As illustrated in Additional file 2: Figures S2a and S2, the reduction in OD was observed to be valid for the first and second clusters of compounds.
In addition to standard test/training splits and cross-validation, we used a clustered cross-validation strategy where clusters of compounds are left out when constructing training sets.
New findings show that the species Gigantonoclea hallei probably climbed using specially adapted clusters of compound grappling hook-like shoots borne on the stems.
Based on a hit cluster of compounds inhibiting interleukin-2 inducible T-cell kinase (ITK) in the submicromolar range a series of ITK inhibitor libraries were synthesized.
The red horizontal line shows a similarity threshold that separates the dataset into a red and blue cluster of compounds.
The main features include many different options for clustering of compounds as well as commenting on clusters, cluster visualization, prioritization and interactive reclustering.
