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algorithm python » algorithms within (Expand Search), algorithm both (Expand Search)
algorithm cost » algorithm co (Expand Search), algorithm could (Expand Search), algorithm cl (Expand Search)
cost function » test functions (Expand Search), cell function (Expand Search)
algorithm python » algorithms within (Expand Search), algorithm both (Expand Search)
algorithm cost » algorithm co (Expand Search), algorithm could (Expand Search), algorithm cl (Expand Search)
cost function » test functions (Expand Search), cell 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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The value functions of comparative policies.
Published 2025“…These expressions are determined using the copula function, and an algorithm is designed to construct the corresponding transition probability matrix. …”
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Cost parameters.
Published 2025“…These expressions are determined using the copula function, and an algorithm is designed to construct the corresponding transition probability matrix. …”
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The final values of the cost function, the selected features number, and the implementation time for the introduced meta-heuristic algorithms.
Published 2025“…<p>The final values of the cost function, the selected features number, and the implementation time for the introduced meta-heuristic algorithms.…”
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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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