News Finding: "If we were trying to synthesize and test all possible individual chemicals of interest, it would take way too much time and be too expensive.
Paper Finding: Therefore, based on the eighteen bioactive macrolide scaffolds we studied, MW limit of 500 g mol −1 may not be quite relevant for macrolides.
News Context: "If we were trying to synthesize and test all possible individual chemicals of interest, it would take way too much time and be too expensive. This in silico screening process quickly and inexpensively identifies compounds with desirable properties that experimental chemists can then synthesize and test. So if you want to find new compounds, computer simulation is by far the fastest way to do it."
Paper Context: 320 g mol −1 and bulky functional groups, eighteen BM scaffolds were found to have MWs very close to the MW threshold. Therefore, based on the eighteen bioactive macrolide scaffolds we studied, MW limit of 500 g mol −1 may not be quite relevant for macrolides. SlogP had a bell-shaped symmetric distribution with values ranging from 1.19 to 5.57, and an average of 3.29 ± 0.77 (Fig.