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algorithm barrier » algorithm based (Expand Search)
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algorithm barrier » algorithm based (Expand Search)
algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
algorithm npc » algorithm etc (Expand Search), algorithm pca (Expand Search), algorithm _ (Expand Search)
npc function » spc function (Expand Search), gpcr function (Expand Search), fc function (Expand Search)
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61
Optional pipe diameter and unit price of NYN.
Published 2022Subjects: “…evolutionary genetic algorithm…”
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62
Optional pipe diameter and unit price of HN.
Published 2022Subjects: “…evolutionary genetic algorithm…”
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Practical rules for summing the series of the Tweedie probability density function with high-precision arithmetic
Published 2019“…With these practical rules, simple summation algorithms provide sufficiently robust results for the calculation of the density function and its definite integrals. …”
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66
A CONSTRUCTIVE GLOBAL CONVERGENCE OF THE MIXED BARRIER-PENALTY METHOD FOR MATHEMATICAL OPTIMIZATION PROBLEMS
Published 2021“…<div><p>ABSTRACT In this paper we develop a generic mixed bi-parametric barrier-penalty method based upon barrier and penalty generic algorithms for constrained nonlinear programming problems. …”
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67
The Blood–Brain Barrier (BBB) Score
Published 2019“…Understanding the BBB interaction with drug molecules based on physicochemical property space can guide effective and efficient drug design. An algorithm, designated “BBB Score”, composed of stepwise and polynomial piecewise functions, is herein proposed for predicting BBB penetration based on five physicochemical descriptors: number of aromatic rings, heavy atoms, MWHBN (a descriptor comprising molecular weight, hydrogen bond donor, and hydrogen bond acceptors), topological polar surface area, and pKa. …”
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68
The Blood–Brain Barrier (BBB) Score
Published 2019“…Understanding the BBB interaction with drug molecules based on physicochemical property space can guide effective and efficient drug design. An algorithm, designated “BBB Score”, composed of stepwise and polynomial piecewise functions, is herein proposed for predicting BBB penetration based on five physicochemical descriptors: number of aromatic rings, heavy atoms, MWHBN (a descriptor comprising molecular weight, hydrogen bond donor, and hydrogen bond acceptors), topological polar surface area, and pKa. …”
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69
The Blood–Brain Barrier (BBB) Score
Published 2019“…Understanding the BBB interaction with drug molecules based on physicochemical property space can guide effective and efficient drug design. An algorithm, designated “BBB Score”, composed of stepwise and polynomial piecewise functions, is herein proposed for predicting BBB penetration based on five physicochemical descriptors: number of aromatic rings, heavy atoms, MWHBN (a descriptor comprising molecular weight, hydrogen bond donor, and hydrogen bond acceptors), topological polar surface area, and pKa. …”
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Parselmouth for bioacoustics: automated acoustic analysis in Python
Published 2023“…Five years ago, the Python package Parselmouth was released to provide easy and intuitive access to all functionality in the Praat software. …”
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ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space
Published 2020“…In order to overcome such shortcoming, we develop a generalized algorithm, “ADT” to generate the nonadiabatic equations through symbolic manipulation and to construct highly accurate diabatic surfaces for molecular processes involving excited electronic states. …”
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78
Pt Cluster Catalysts and Alkane to Aromatic Conversion Evaluated Using a Combination of Swarm Intelligence and Density Functional Theory
Published 2025“…Here, we report density functional theory (DFT) calculations combined with a swarm intelligence algorithm to determine Pt positioning and interaction with the zeolite framework and detailed comparison of reaction pathways. …”
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79
Results of the application of different clustering algorithms to average functional connectivity from healthy subjects.
Published 2023“…<p>A) Resulting cluster inertia from applying the k-means algorithm described in the methods to empirical averaged functional connectivity from healthy subjects, with different numbers of clusters. …”
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