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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
python function » protein function (Expand Search)
go functional » _ functional (Expand Search), a functional (Expand Search), from functional (Expand Search)
algorithm go » algorithm co (Expand Search), algorithm _ (Expand Search), algorithm a (Expand Search)
algorithm b » algorithm _ (Expand Search), algorithms _ (Expand Search)
b function » _ function (Expand Search), a function (Expand Search), 1 function (Expand Search)
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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
Published 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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(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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ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space
Published 2020“…The “ADT” program can be efficiently used to (a) formulate analytic functional forms of differential equations for ADT angles and diabatic potential energy matrix and (b) solve the set of coupled differential equations numerically to evaluate ADT angles, residue due to singularity(ies), ADT matrices, and finally, diabatic potential energy surfaces (PESs). …”
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Identification and functional analysis of hub genes.
Published 2025“…(E) GO enrichment analysis of shared candidate genes, showing the top three terms for biological process (BP), cellular component (CC), and molecular function (MF).…”
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