There are 96 unique targets, for which 53 have 2 or more known binders in the dataset.
However, our technique can also be used for the localization of other targets, for which no location information is available.
Both processors are applied to similar complex targets for which the scattered fields are simulated by a numerical electromagnetic code.
Such a neutron fluence device contains targets for which the neutron induced cross section is considered to be a standard.
It is among the few truly validated RNA targets for which naturally occurring ligands have been discovered as "cognate" binders.
The next challenge is to apply FBDD to targets for which high-resolution structural information is not available.
HIVi and ERK2 were the only targets for which the averaged AUC obtained with the Bayesian optimization strategy was outperformed by other optimization methods.
To make sure that the learning process was successful for each model, we select only the targets for which each classifier scored an AUC greater than 0.90.
During training, only targets for which we have data were taken into account when computing the error function to update the weights.
On the contrary, there were 6 "hard" targets, for which the search algorithms of all programs failed in finding any correct pose.
Thus, DrugScoreFP binding profiles capture similarities and dissimilarities with respect to drug targets for which a large amount of structural data is available.
