Sentence examples for probable compounds from inspiring English sources
Given a scaffold S = (n, K, W, P) and a mass peak M = (w min, w max, D), the CSCCP is to find the top R most probable compounds in Ψ(S) having weights inside the interval [w min, w max ].
By comparing the TIC chromatograms of PFr, PFo and PCa with NIST mass spectral database as well as spectral data and retention indices from the literature [12, 20, 21, 27, 28], probable compounds of certain peaks were identified and listed in Table 4.
The observed [M + H]+ peaks and the list of probable compounds with their exact m/z values and molecular formulae as per the literature are summarized in Table 5.
The origin of room temperature ferromagnetism has been associated to ZnMnO3as the most probable compound.
Through comparing the TIC with NIST mass spectral database, probable compound for each peaks were identified.
The appearance of clear diffraction peaks in C2 spectra associated to ZnO and ZnMnO3 phases, which were not detected in C0 and C1, can be attributed to the rearrangement of the Zn displaced atoms and the growing of texturized ZnMnO3 as most probable compound.
The model then takes the input seed scaffolds provided by users to match scaffolds in the model and automatically generates a list of most probable matching compounds sorted on the basis of evaluated probabilities for a given mass peak.
The resulting Serum Metabolome Database (SMDB) (http://www.serummetabolome.ca) is a comprehensive, web-accessible resource containing these 4229 confirmed and probable serum/plasma compounds, their corresponding concentrations and links to disease associations that were revealed or identified from these combined experimental and literature mining efforts.
The presence of saponins in these plants is also supported by the chromatogram obtained by visualizing with vanillin-sulphuric acid (Fig 2) in which the probable active compounds gave purple or blue colour with this reagent, a normal positive test for triterpenoidal and steroidal saponins respectively [ 39].
Among the group-1 members, the compound with the lowest s a i should be the most probable hit compound.
If there is no compound in group-1, the compound with the lowest n a i in group-2 should be the most probable hit compound.
