Sentence examples for compound affinity for from inspiring English sources
In this dataset, the compound affinity for target Chk1 is measured in pIC50, and that for targets Erk2 and Urokinase are measured in pKi.
The learned function can be used to predict the label (compound affinity) for any given molecules according to their structural features.
As part of an evaluation of different approaches to predict compound affinity for nuclear hormone receptors, we used the molecular docking program GOLD and a hybrid scoring scheme based on similarity weighted GoldScores to predict potential PXR agonists in the ToxCast database of pesticides and other industrial chemicals.
For example, in the following test, the curated CSAR dataset was used and the compound affinities for different targets were measured in different affinity indicators as pIC50 or pKi respectively.
These affinities are used to establish a QSAR of our benzyl alcohol modified model prodrugs, aided at elucidating the observed differences in model prodrug affinity for hPepT1; additionally, these data suggest that the hydrophobicity of the side-chain model drug is the major determinant in the compounds affinity for hPepT1.
The mechanism for the toxicity of pHAHs has been widely studied, and there are well-established positive relationships among compounds' affinity for the AHR, their potency for CYP1A induction, and their toxicity (Guiney et al. 1997; Heid et al. 2001; Safe 1990 , 1993.
Most importantly, the appearance of [Mn+ + Na] adduct peak in MS mainly depends on the intrinsic nature of parent compound, e.g., affinity for impurity sodium cations.
To predict whether addition of a 4-nitrobenzyl group would reduce the compound's affinity for Aurora kinase A, we undertook docking studies.
With the exception of compounds 4, 5 and 10, all compounds displayed affinity for the α1-ARs in the micromolar range (Table 1).
None of the peptide-coupled compounds seemed to be transported by hPepT1, though one of the peptide-coupled compounds had affinity for hPepT1.
All compounds exhibited affinity for CB1 and CB2 receptors.
