Sentence examples for compounds were discarded from inspiring English sources

Protein classes comprising less than 10 compounds were discarded since they did not comprise sufficient amounts of training data to learn from.

The selected hits were visually inspected and the highly symmetric or heavily halogenated ligands and the high molecular weight compounds were discarded and not analyzed further.

Because of either high cytotoxicity (≤20 μM) of the small molecule on the 293T cells or low efficacy (≥20 μM) of the small molecule within the viral replication assay 75 of the 78 compounds were discarded (Table S2, Supporting Information) leaving compounds A1895, R0529, and NSC260594 (Table S1, Supporting Information).

The intercalation of Alq3 units between the interlayer space of hydrotalcite-like compounds is discarded as a possibility, as the position of the (003) diffraction peak is approximately the same in all three samples.

This type of simulated test has the potential to complement and extend existing safety tests; facilitating earlier detection of torsadogenic compounds, and preventing potentially safe compounds being discarded unnecessarily.

For compounds with multiple measurements against the same target, the geometric mean was calculated as the final potency annotation, provided that all values fell within one order of magnitude; otherwise, the compound was discarded.

Among the 8 selected compounds, four were discarded for the following experiments due to their cellular toxicity (data not shown).

Thus, adjacent repeats that constituted compound microsatellites were discarded.

Hits from the three searches were merged, duplicates were removed and derivatives that had already been screened in the 16 000 compound library were discarded.

Activity was assigned according to the PubChem annotation, and compounds with ambiguous activity were discarded.

To generate the 34,841 compound ZINC library (34 k ZINC), the 70% diversity subset of the drug-like subset was downloaded and compounds that failed any preparation step were discarded.