Sentence examples for pick compounds from inspiring English sources

When purchasing from commercial space, it is crucial to apply property filters and cherry pick compounds for inclusion to avoid unnecessary over-representation of scaffolds.

They even picked compounds from Tropsha's selection they did not expect to be active.

Advanced bucketing applied an internal hierarchical clustering algorithm to construct buckets with given sizes of retention time (RT) and m/ z around picked compounds followed by generation of a bucket table including RT– m/ z pairs (buckets) and intensities.

Both Bayesian models derived from the Scripps percent inhibition data are good at picking compound series with toxicity issues but not as good at differentiating which member of the series is toxic and which one is not.

The proposal, which originated from the Force India team and to which governing body the FIA is open, is to allow teams to pick two compounds themselves.

Dashed gray lines indicate the prevalence of activity and random picking of compounds.

The pTG of 0.488 in the selected subset signified that each compound in this subset has an average probability gain of 0.488 of being active over the random picking of compounds.

We picked 162 compounds from the full screen and confirmed 97% of them in the same fluorescent assay.

Thus, for the dose response curves we picked 36 compounds which had either (1) activity toward both OCRL and Synaptojanin or (2) activity in two of our activity assays (22 for OCRL and 21 for Synaptojanin).

All tested classifiers faced the problem of correct classification of compounds picked up from the ZINC database when they were trained on sets with inactives selected according to different approaches (from MDDR database or DUD libraries).

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