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The tonal masker having the highest level is maintained while the other elements are removed from the directory of maskers.
Therefore 13 targets were selected from the directory of useful decoys (DUD) which contains a set of unbiased actives and decoys.
It is the union of three distinct datasets: 50 targets from ChEMBL 14, 21 from the Directory of Useful Decoys [34] (DUD) and 17 from the Maximum Unbiased Validation (MUV) dataset [35].
The performances of four popular docking programs, Gold, Glide, Surflex and FlexX, were investigated using 100 crystal structures of complexes taken from the Directory of Useful Decoys-Enhanced database.
Virtual screening results of the OAK and the hierarchical assignment approach on several datasets from the directory of useful decoys (DUD) [3] showed that the hierarchical assignment achieved better BEDROC scores.
We used the open-source platform [35] to benchmark EXEMPLAR (i.e. ePlatton) and data fusion [22] methods (MAX, 3NN, MPS [21]) and 21 targets with more than 30 actives from the directory of useful decoys (DUD) [23] were tested.
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This observation confirmed our previous reports that MQN-similarity preforms quite well in LBVS of drug analogs such as the recovery of actives from decoys in the directory of useful decoys (DUD), [39, 55] and the recovery of shape and pharmacophore analogs from GDB-13 [36, 56].
All ligands and decoys come from release two of the Directory of Useful Decoys (DUDr2) [35].
The LiSiCA software was previously tested for its ability to discriminate active from inactive molecules in the Directory of Useful Decoys Enhanced Database [17] (see Ref. 14).
One study sent applications to 146 family practice residency programs randomly selected from the 384 programs in the Directory of Graduate Medical Education Programs, 1991-1992 (38% sampled) [ 9].
Once a 3D model is inferred from S2S, it is saved in the directory of the structural alignment, where it can be loaded by Assemble to pursue the modeling process.
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