Table 2 Classification of compounds from large-scale retention assay screen. Retention of 13,056 compounds was measured, and the classification was compared to the growth inhibiting effect of 12,823 compounds screened in whole-cell antibacterial screens. 49–50% of all compounds could be classified as either retention-positive (RP) or retention-negative (RN) compounds using a threshold value of 1% of retention. For 36% of all compounds there was no or low signal in the reference sample making further analysis impossible and the remaining 15% could not be unambiguously classified either as RP or RN. Yes = Growth inhibition of > 50% at 25 µM. NT = Not Tested.

From: Measurement and prediction of small molecule retention by Gram-negative bacteria based on a large-scale LC/MS screen