Sentence examples for estimated activities from inspiring English sources

The optimization step led to a new set of compounds with both improved binding at the active site and estimated activities.

As shown in the figure, estimated activities are different although input features and dictionaries are parallel.

Table 1 shows the relative differences between the estimated activities and those determined based on the reconstruction of SIMIND-simulated projections.

One term penalizes the deviation between the estimated activities of the molecules in data set and their experimental values; the other term penalizes the complexity of the hypothesis.

Finally, 29 hits were identified as potential leads against Raf-1 kinase, which exhibited good estimated activities, high docking scores, similar binding mode to experimentally proven compounds and favorable drug-like properties.

The reconstructed sphere activity was determined using a spherical volume of interest (VOI) with twice the diameter of the sphere used in the simulations, and from this VOI, the relative differences between the estimated activities and those defined in the simulations were calculated.

Firstly, we find that the estimated activity of P-gp-mediated transport is higher during the active period of the animals compared to the resting period.

How do you calculate the amount of time spent by the janitor on different activities, and what will happen if the leaseholder disputes the estimated activity time?

The activity measured in the urine collections between the scans was used to correct the estimated activity in the WB compartment.

The computationally fastest approach to rank the compound database, according to the estimated activity, is to sort the molecules by their similarity to one or more known binders.

If the estimated activity from a simulated reconstructed sphere is close to the reference value it means that the back projector is properly normalized.