Search Results - (( molecular based optimization algorithm ) OR ( molecular laundering optimization algorithm ))
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A novel nonlinear time‑varying sigmoid transfer function in binary whale optimization algorithm for descriptors selection in drug classifcation
Published 2022“…Binary whale optimization algorithm (BWOA) is a recently proposed metaheuristic optimization algorithm that has been efficiently applied in feature selection. …”
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Swarm intelligence-based feature selection for amphetamine-type stimulants (ATS) drug 3D molecular structure classification
Published 2021“…For this purpose, the binary version of swarm algorithms facilitated with the S-shaped or sigmoid transfer function known as binary whale optimization algorithm (BWOA), binary particle swarm optimiza-tion algorithm (BPSO), and new binary manta-ray foraging opti-mization algorithm (BMRFO) are developed for feature selection. …”
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Crossover and mutation operators of real coded genetic algorithms for global optimization problems
Published 2016“…On another note, the drawback in CS is in locating the most stable conformation of a molecule with the minimum potential energy based on a mathematical function. The number of local minima grows exponentially with molecular size and this makes it that more difficult to arrive at a solution. …”
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Dual-head marking performance optimisation via evolutionary solutions
Published 2023Conference paper -
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Optimizing the production of valuable metabolites using a hybrid of constraint-based model and machine learning algorithms : A review
Published 2023“…This review paper summarizes research on the hybrid of constraint-based models and machine learning algorithms in optimizing valuable metabolites. …”
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Biological-based semi-supervised clustering algorithm to improve gene function prediction
Published 2011“…However, commonclustering algorithms do not provide a comprehensive approach that look into the three categories of annotations; biologicalprocess, molecular function, and cellular component, and were not tested with different functional annotation database formats.Furthermore, the traditional clustering algorithms use random initialization which causes inconsistent cluster generation and areunable to determine the number of clusters involved. …”
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Optimization of Lipase Catalysed Synthesis of Sugar Alcohol Esters Using Taguchi Method and Neural Network Analysis
Published 2011“…The synthetic reaction was optimized by Taguchi method based on orthogonal array to evaluate the effect of each parameters and interactive effects of reaction parameters including temperature, time, amount of enzyme, amount of molecular sieve, amount of solvent, and molar ratio of substrates (xylitol: fatty acid). …”
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Optimization of emulsion polymerization of styrene and methyl methacrylate (MMA)
Published 2013“…Using gPROMS, the system analyzed the data, created models, developed algorithms, manipulated and plotted based on the functions and data. …”
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Undergraduates Project Papers -
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Development of compound clustering techniques using hybrid soft-computing algorithms
Published 2006“…Initially, the heuristics needs user intervention to select optimal values, which give poor results. To overcome this problem, fuzzy memberships have been employed to find optimal parameters. …”
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Monograph -
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Structural interpretations of a flexible cold-active AMS8 lipase by combining small-angle X-ray scattering and molecular dynamics simulation (SAXS-MD)
Published 2022“…Hence, by combining SAXS with MD, it is possible to understand the structure of flexible AMS8 lipase in natural space. Based on the findings, SAXS ab-initio model of AMS8 lipase was identified as a monomeric protein in which the optimized model of cold-active lipase AMS8 derived from SAXS data was found to be aligned with AMS8 homology model under series of MD timeframe.…”
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RLMD-PA: A Reinforcement Learning-Based Myocarditis Diagnosis Combined with a Population-Based Algorithm for Pretraining Weights
Published 2024journal::journal article -
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Computational methods for self-assembly of DNA nanostructures / Ong Hui San
Published 2016“…Several approaches have been adopted including development of an autonomous tool that incorporated evolutionary optimization algorithm in constructing these heterogeneous DNA shapes and the application of heuristic through undirected graph theory as an annotation schema to produce the connectivity maps. …”
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Interaction study between M-Phenylenediamine, Trimesoyl Chloride and Nylon 66 using Molecular Dynamic Simulation
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