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To remove any remaining compounds, the analysis was finished with a ramp of 20°C/min to 320°C held for 20 minutes.
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Finally, fingerprint descriptors were generated for all remaining compounds.
Each test set contained all remaining compounds that were not used for training.
The complete (blue) network contains all remaining compounds and reactions.
Although the amide-containing derivative 1d did not show any bioavailability, the remaining compounds have shown fair to excellent pharmacokinetic, anti-inflammatory and gastric-sparing properties.
Hence both were selected as a ligand for molecular docking studies as remaining compounds were not of any therapeutic significance.
For the remaining compounds, no positive chemotaxis was observed in any of the experiments, and for most compounds there was an inhibitory effect on the growth of the slime mold.
Of the remaining compounds, several were prioritized for immediate characterization via the AEL AGL integrated framework25,26.
The remaining compounds also exhibited moderate to weak inhibitory potential.
Lastly, they need to develop new sets of microbes that can convert the remaining compounds into fuels.
The remaining compounds were detected and measured in about half the samples.
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