Sentence examples for compound catalogue from inspiring English sources
£40 What you see immediately is a booklet which has the very feel of a chemical compound catalogue.
MANTRA makes use of a post-processed version of the cMap dataset, where compounds are catalogued into a drug similarity network.
We have subjected a library of 50,000 compounds from the ChemBridge catalogue to PAINs filtering using the same SMARTS filters in cApp and PipelinePilot [21].
We report how computational docking of a large electronic catalogue of compounds to an X-ray structure of the Chk1 ATP-binding site allowed prioritisation of a small subset of these compounds for assay.
While the biological effects of free fatty acids as antimicrobial compounds have been catalogued, there remains no unequivocal identification of the targets or mechanisms of action in relation to S. aureus.
To illustrate the performance of the new SAscore, its distribution for 100,000 synthetic molecules from catalogues of commercial compound providers (not used in the training process), 100,000 bioactive molecules randomly selected from the WDI [14] and MDDR [15] databases and 100,000 natural products from the Dictionary of Natural Products [16] is shown in Figure 4.
In keeping with this main goal it is not surprising that most of the available nucleic acid sequences from Conus are a catalogue of these compounds present in the venom.
Figure 11b shows that the median SAscore value is 2.75 for decoy and 2.87 for active compounds from the DUD-E dataset (catalogue molecules).
Briefly, the eMolecules catalogue of commercially available compounds was filtered for acceptable drug-like molecular properties.
The NR catalogue is an additional tool to filter compounds and visualize the structures of filtered compounds along with their physicochemical properties.
As more physiologically active compounds enter the environment, it becomes necessary to develop effective techniques to catalogue previous observations so as to extrapolate and predict the effects of new compounds.
