Sentence examples for ranking compound from inspiring English sources

We screened the Torrey Pines Institute for Molecular Studies TPIMSscaffoldold ranking compound libraries that consist of more than 30 million small molecules.

We characterized IC50 values for different readouts and showed that counting Live cells or calcein AM-positive cells in spheroids provides the greatest sensitivity to compound effects and best curve fit and can be efficiently used for ranking compound potencies.

This study suggests that a single-time-point assay is sufficient for ranking compounds in early drug discovery.

The second dataset, DUD, was chosen to investigate ability of ranking compounds, as the dataset has been used for the same purpose in several previous studies.

BEDROC is based on robust initial enhancement (RIE), which uses continuously decreasing exponential weight when ranking compounds according to estimated probability [19].

The well known AUROC (the area under the receiver operating characteristic (ROC) curve) measure is based on ranking compounds according to their predicted probability of being active.

Receiver Operator Characteristic (ROC) curves, Area Under the ROC Curves (AUC), and enrichment factors (EF) were calculated after ranking compounds from the MUV and DUD-E data sets.

It has therefore the potential to become a novel method for ranking compounds during various drug discovery phases.

The best ranked compound, with respect of the previously proved inhibitor compound 19, was further tested by molecular dynamics (MD) simulation.

So far, six out of the first 25 of the ranked compound list showed an activity with an IC50 value upto μM range.

However, the scripts are designed in such a way that ranked compound lists generated by other sources can be used at a later stage of the VS experiment.