<i>De Novo</i> Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization by Alberga Domenico (9356272)

“…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. …”

RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms by Yidan Tang (6623693)

“…The Rosetta automated Monte Carlo reaction-based ligand design (RosettaAMRLD) integrates a Monte Carlo Metropolis (MCM) algorithm and reaction-driven molecule proposal to enhance structure-based <i>de novo</i> drug discovery. …”

Algorithm for generating hyperparameter. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Results of machine learning algorithm. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

ROC comparison of machine learning algorithm. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer results of Lightbgm. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer results of Adaboost. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer results of Lightbgm. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Random forest with hyperparameter optimization. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer results of KNN. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer results of KNN. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Process of multi angle facial feature point detection algorithm (The character in the Figure is the first author, with her own consent). by Shuangyan Li (502833)

Best optimizer results of Decision tree. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer result for Adaboost classifier. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer results for random forest. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer results of Decision tree. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer results of Extra tree. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer results of Random Forest. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Best optimizer result for Extra tree. by Balraj Preet Kaur (20370832)

“…Motivated by the above, in this proposal, we design an improved model to predict the existence of respiratory disease among patients by incorporating hyperparameter optimization and feature selection. To optimize the parameters of the machine learning algorithms, hyperparameter optimization with a genetic algorithm is proposed and to reduce the size of the feature set, feature selection is performed using binary grey wolf optimization algorithm. …”

Image 1_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.tif by Xuehui Fan (10762662)