Sentence examples for screening benchmarks from inspiring English sources

The virtual screening benchmarks for topological fingerprints and USRCAT are carried out as follows.

Fig. 4 Virtual screening benchmarks of Vina against the DUD-E dataset.

Subsequent virtual screening benchmarks demonstrate that this optimized docking box size also improves compound ranking.

Considering first the results from the multi-assay and virtual screening benchmarks, the LECFP4 and LECFP6 fingerprints are consistently among the best tested.

Because the physico-chemical properties of water reflect the status of water quality [33, 34], these criteria were used as screening benchmarks for selecting the reference site.

This paper discusses issues inherent in converting existing health screening benchmarks based on intake doses to screening levels for evaluating biomonitoring data, and presents methods and approaches that can be used to derive such screening levels (termed "Biomonitoring Equivalents," or BEs) for a range of chemicals and biological media.

The USRCAT extension is shown to outperform the traditional USR method in a retrospective virtual screening benchmark.

Some conclusions of these docking benchmarks seem to be in contradiction with our observations made on a virtual screening benchmark [26].

The new benchmarks achieve a degree of separation of different fingerprints that is an order of magnitude greater than a virtual screening benchmark.

A similar method was used to assess fingerprint performance for the Riniker Landrum virtual screening benchmark, for which 50 repetitions were present.

The DUD dataset is appropriate for this task since it is developed for virtual screening benchmark and has been used in several previous studies.