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process optimization » model optimization (Expand Search)
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process optimization » model optimization (Expand Search)
all optimization » art optimization (Expand Search), ai optimization (Expand Search), whale optimization (Expand Search)
library based » laboratory based (Expand Search)
a process » _ process (Expand Search)
based all » based small (Expand Search), based cell (Expand Search), based ap (Expand Search)
binary a » binary _ (Expand Search), binary b (Expand Search), hilary a (Expand Search)
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<i>De Novo</i> Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization
Published 2020“…In the present study, we conceived a novel pair-based multiobjective approach implemented in an adapted SMILES generative algorithm based on recurrent neural networks for the automated <i>de novo</i> design of new molecules whose overall features are optimized by finding the best trade-offs among relevant physicochemical properties (MW, logP, HBA, HBD) and additional similarity-based constraints biasing specific biological targets. …”
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Proposed Algorithm.
Published 2025“…To enhance the offloading decision-making process, the algorithm incorporates the Newton-Raphson method for fast and efficient optimization of the computation rate under energy constraints. …”
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A Practical Algorithm to Solve the Near-Congruence Problem for Rigid Molecules and Clusters
Published 2023“…The Fortran implementation of the algorithm is available as an open source library (https://github.com/qcuaeh/molalignlib) and is suitable to be used in global optimization methods for the identification of local minima or basins.…”
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Comparisons between ADAM and NADAM optimizers.
Published 2025“…To enhance the offloading decision-making process, the algorithm incorporates the Newton-Raphson method for fast and efficient optimization of the computation rate under energy constraints. …”
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A* Path-Finding Algorithm to Determine Cell Connections
Published 2025“…To address this, the research integrates a modified A* pathfinding algorithm with a U-Net convolutional neural network, a custom statistical binary classification method, and a personalized Min-Max connectivity threshold to automate the detection of astrocyte connectivity.…”
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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
Published 2025“…The percentage mean absolute residuals of the activity coefficients obtained using DEA, NMM, and the parameter estimation tool in Aspen Plus were in the ranges of 0.05–16.69, 0.05–16.69, and 0.09–326.77%, respectively. This in-house algorithm will be helpful for obtaining more accurate NRTL parameters in a timely manner and will facilitate the simulation of biochemical processes for process optimization, energy consumption estimation, and life cycle assessment.…”