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ADMET evaluation in drug discovery: 21. Application and industrial validation of machine learning algorithms for Caco-2 permeability prediction
Published 2025-01-01“…We believe that the model developed in this study could represent a reliable tool for assessing Caco-2 permeability during early-stage drug discovery and the chemical transformation rules derived here could provide insights for optimizing Caco-2 permeability. Scientific contribution A comprehensive validation of various machine learning algorithms combined with diverse molecular representations on a large dataset for predicting Caco-2 permeability was reported. …”
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2322
Study on risk factors of impaired fasting glucose and development of a prediction model based on Extreme Gradient Boosting algorithm
Published 2024-09-01“…Feature selection, parameter optimization, and model construction were performed in the training set, while the validation set was used to evaluate the predictive performance of the models. …”
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2323
Identifying key factors influencing maize stalk lodging resistance through wind tunnel simulations with machine learning algorithms
Published 2025-06-01“…Climate change has intensified maize stalk lodging, severely impacting global maize production. While numerous traits influence stalk lodging resistance, their relative importance remains unclear, hindering breeding efforts. …”
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2324
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2325
Crops Disease Detection, from Leaves to Field: What We Can Expect from Artificial Intelligence
Published 2024-11-01Get full text
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2326
Comparison of Innovative Strategies for the Coverage Problem: Path Planning, Search Optimization, and Applications in Underwater Robotics
Published 2025-07-01“…Conversely, MST-based approaches provide faster but fewer optimal solutions. These findings offer insights into selecting appropriate algorithms based on mission priorities, balancing efficiency and computational feasbility.…”
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2327
Development of a PYTHON library for a mathematical model of nuclear reactor kinetics
Published 2025-03-01Get full text
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2328
Fast and Accurate Direct Position Estimation Using Low-Complexity Correlation and Swarm Intelligence Optimization
Published 2025-05-01“…Furthermore, an adaptive Dung Beetle Optimization (ADBO) algorithm is developed. By leveraging insights from fitness landscape analysis, the ADBO algorithm dynamically adjusts subpopulation proportions and the convergence factor while incorporating hybrid mutation strategies for effective adaptation to various types of optimization problems. …”
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2329
A mechanism of topology optimization for underwater acoustic sensor networks based on autonomous underwater vehicles
Published 2017-01-01“…To solve this problem, a topology optimization method, also called TO-A algorithm, is developed based on topology reconfiguration. …”
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2330
Three-Dimensional UAV Path Planning Based on Multi-Strategy Integrated Artificial Protozoa Optimizer
Published 2025-03-01“…First, the tent map and refractive opposition-based learning (ROBL) are employed to enhance the diversity and quality of the initial population. Second, in the algorithm’s autotrophic foraging stage, we design a dynamic optimal leadership mechanism, which accelerates the convergence speed while ensuring robust exploration capability. …”
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2331
Individual health passport storage, sharing and verification scheme based on blockchain
Published 2024-04-01“…The scheme also refined the weak consensus mechanism, with an improved algorithm that achieved consensus in merely two stages. …”
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2332
Optimization of Processor Clock Frequency for Sensor Network Nodes Based on Energy Use and Timing Constraints
Published 2014-06-01“…We analyze the extended model and verify that our algorithm calculates the clock frequency that optimizes energy savings while satisfying the timing constraints.…”
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2333
OPTIMAL DISTRIBUTION NETWORK RECONFIGURATION FOR LOSS MINIMIZATION AND VOLTAGE PROFILE IMPROVEMENT BASED ON ARTIFICIAL INTELLIGENCE
Published 2025-04-01“…The original version of the Dolphin Echolocation Optimization (DEO) algorithm is designed for solving continuous optimization issues only. …”
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2334
Crossover operators for molecular graphs with an application to virtual drug screening
Published 2025-06-01“…Abstract Genetic algorithms are a powerful method to solve optimization problems with complex cost functions over vast search spaces that rely in particular on recombining parts of previous solutions. …”
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2335
GENERATING OF OPTIMAL QUANTIZATION LEVELS OF CONTROL CURRENTS FOR LINEAR STEPPING DRIVES OF PRECISION MOTION SYSTEMS
Published 2014-06-01“…An algorithm for determination of optimal quantization levels of control currents of drive's phases has been developed in the paper; it minimizes an error of positioning that forms correction files for application of a control system in the software. …”
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2336
Multi‐objective multi‐period optimal site and size of distributed generation along with network reconfiguration
Published 2024-12-01“…To address the pointed‐out challenge of multiperiod optimal DG allocation and reconfiguration while simultaneously decreasing the cost of energy supplied, the cost of energy lost, and the voltage deviation, a novel Multi‐objective Bidirectional co‐evolutionary algorithm (BiCo) is implemented. …”
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2337
Comprehensive Evaluation Method of Teaching Effect Based on Particle Swarm Optimization Neural Network Model
Published 2022-01-01“…This paper studies the optimization algorithm and optimization system, it not only makes the algorithm involve basic mathematical operations, and the computer support required for the data processing process is not high, but it also improves the evaluation of the degree of optimization. …”
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2338
Modeling and Optimization of the Multiobjective Stochastic Joint Replenishment and Delivery Problem under Supply Chain Environment
Published 2013-01-01“…Secondly, two approaches are designed to handle this complex multi-objective optimization problem. Linear programming (LP) approach converts the multi-objective to single objective, while a multi-objective evolution algorithm (MOEA) solves a multi-objective problem directly. …”
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2339
Operational response to contamination in water distribution systems: a multi-objective Bayesian optimization approach
Published 2025-05-01“…The optimization framework aims to balance the conflicting objectives of minimizing response time while maximizing water quality metrics after contamination events. …”
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