بدائل البحث:
design functional » density functional (توسيع البحث), brain functional (توسيع البحث), kegg functional (توسيع البحث)
algorithm design » algorithm using (توسيع البحث)
python function » protein function (توسيع البحث)
brain function » barrier function (توسيع البحث), protein function (توسيع البحث)
design functional » density functional (توسيع البحث), brain functional (توسيع البحث), kegg functional (توسيع البحث)
algorithm design » algorithm using (توسيع البحث)
python function » protein function (توسيع البحث)
brain function » barrier function (توسيع البحث), protein function (توسيع البحث)
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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz
منشور في 2025الموضوعات: -
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Modular architecture design of PyNoetic showing all its constituent functions.
منشور في 2025الموضوعات: -
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Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements
منشور في 2021"…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …"
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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
منشور في 2025"…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …"
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The Blood–Brain Barrier (BBB) Score
منشور في 2019"…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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The Blood–Brain Barrier (BBB) Score
منشور في 2019"…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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The Blood–Brain Barrier (BBB) Score
منشور في 2019"…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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