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Another series of paralogues in the table, in order of compound ranking, are Cathepsin S, CTSS [Swiss-Prot P25774], Cathepsin K, CTSK [Swiss-Prot P43235], Cathepsin L, CTSL1 [Swiss-Prot P07711] and Cathepsin G, CTSG [Swiss-Prot P08311].
However, a schedule-dependent combined effect, associated with the order of compound treatments, was observed.
The studies here found that IC50 values for six selected compounds were smaller in 3D spheroids than 2D culture, while the rank order of compound potency was the same.
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First, use of SALI identified models which were better at predicting the relative order of compounds across SALI edges for small and large SALI values.
At the same time, it was the order of compounds with decreasing affinity to ERR-γ.
Finally, log D-based calculations can be used to predict the chromatographic elution order of compounds of interest [ 9].
When we checked the receptor binding activities of one series of bisphenol derivatives (i.e., bisphenol E, BPA, bisphenol B, bisphenol AP, and bisphenol AF), we found this line-up to be the order of compounds with increasing affinity to ER-α.
However, it is recommended that it follows the ordering of Compound objects in the compound registry, because it simplifies manual processing.
In Ref. [24], Suragg et al. suggested a hypothesis that the I286/I305 ratio may be used for the determination of the ordering of compound.
The use of structure-activity landscape indices (SALI) and the SALI curve integral (SCI) was found to be very powerful in the evaluation of performance models, particularly with respect to rank ordering of compound pairs.
However, at an X of 0.15, both RF and KPLS were at or below 0 (random ordering of compound pairs across the SALI edges) and attained -1 by X = 0.3.
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CEO of Professional Science Editing for Scientists @ prosciediting.com