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The three-dimensional (3D) binary pharmacophore fingerprints find wide application as descriptors in applications ranging from virtual screening through library design. While the 3D content they capture is an intuitively attractive feature of such measures, maximizing their signal to noise ratio has proven to be a tricky balancing act. This issue surfaces(More)
We propose a new heuristic for the single-searcher path-constrained discrete-time Markovian-target search. The algorithm minimizes an approximate, instead of exact, nondetection probability computed from the conditional probability that reflects the search history over the time windows of a fixed length, l. Having a pseudo-polynomial complexity, it can(More)
In this study, a standard moving-target search model was extended with a multiple-search-speed option, whereby a trade-off is enabled between the increased detection chances owing to the searcher's better location and the increased uncertainty of the target's location resulting from the diminished search performance incurred in the relocation. This enhances(More)
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