Sentence examples for screening datasets from inspiring English sources

This could not be done with the primary screening datasets because of computational memory limitations.

As already outlined before, accuracy is not a suitable validation measure for highly unbalanced virtual screening datasets.

From a detailed analysis of the findings, a guideline for characterizing ligand-based virtual screening datasets is derived.

The screening datasets can be obtained from the DUD site listed as DUD LIB VS 1.0 [64].

Large screening datasets were selected from PubChem [19] to represent a spread in terms of size and ratio of active to inactive compounds.

Additionally, we examined results of a consensus modeling study [6] that was applied to all 69 virtual screening datasets used in that work.

We create the compound sets using the virtual screening dataset of CDK2 comprising 80 active compounds and 15000 decoy compounds [47].

As further applications of this work, we are currently preparing to apply our methodology to a subset of a Traditional Chinese Medicine dataset and a phenotypic screening dataset for Xenopus.

In CPVS we use a more realistic screening dataset of over 2.2 M compounds, and the stepwise iterative docking and machine learning on such a large dataset was facilitated by the use of Apache Spark for distributed computations and would have been complex and inefficient to carry out without a distributed data framework.

We have applied a strategy based on phenotype signature to the NCI-60 drug screening dataset, taking advantage of the potential to link relevant expression signatures with action of a large number of potential cancer therapeutics.

We apply our approach on a real screening dataset and a series of simulation scenarios.