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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
algorithm from » algorithm flow (Expand Search)
from function » from functional (Expand Search), fc function (Expand Search)
algorithm b » algorithm _ (Expand Search), algorithms _ (Expand Search)
b function » _ function (Expand Search), a function (Expand Search), i function (Expand Search)
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A framework for improving localisation prediction algorithms.
Published 2024“…One can expect that the combination of multi-dimensional parameters from evolutionary biology, cell biology and molecular biology on evolutionary diverse species will significantly improve the next generation of machine leaning algorithms that serve localisation (and function) predictions.…”
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(a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions).
Published 2025“…<p>(a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions).…”
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PATH has state-of-the-art performance versus previous binding affinity prediction algorithms.
Published 2025“…The benchmarked algorithms include physics-based and deep learning algorithms from the famous AutoDock framework (scoring function of AutoDock4 implemented in the AutoDockFR package [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1013216#pcbi.1013216.ref068" target="_blank">68</a>,<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1013216#pcbi.1013216.ref077" target="_blank">77</a>], Vinardo [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1013216#pcbi.1013216.ref069" target="_blank">69</a>], GNINA [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1013216#pcbi.1013216.ref070" target="_blank">70</a>]), empirical (AA-Score [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1013216#pcbi.1013216.ref071" target="_blank">71</a>]), knowledge-based (SMoG2016 [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1013216#pcbi.1013216.ref072" target="_blank">72</a>]), and deep learning-based scoring functions (OnionNet [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1013216#pcbi.1013216.ref073" target="_blank">73</a>], PLANET [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1013216#pcbi.1013216.ref074" target="_blank">74</a>]). …”
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Functions in nhppp.
Published 2024“…We developed it to facilitate the sampling of event times in discrete event and statistical simulations. The package’s functions are based on three algorithms that provably sample from a target NHPPP: the time-transformation of a homogeneous Poisson process (of intensity one) via the inverse of the integrated intensity function; the generation of a Poisson number of order statistics from a fixed density function; and the thinning of a majorizing NHPPP via an acceptance-rejection scheme. …”
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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
Published 2025“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”
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