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

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Summary of classification algorithms. by Stephen R. Piccolo (8367780)

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Library of the 55 different classification and regression machine-learning algorithms used by the ensemble predictor SuperLearner (SL.library) in the CBDA 2.0 implementation. by Simeone Marino (81051)

Classification algorithm hyperparameter combinations. by Stephen R. Piccolo (8367780)

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Summary of feature-selection algorithms. by Stephen R. Piccolo (8367780)

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Feature-selection algorithm hyperparameter combinations. by Stephen R. Piccolo (8367780)

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Comparison of ranks for classification algorithms across performance metrics. by Stephen R. Piccolo (8367780)

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A Practical Algorithm to Solve the Near-Congruence Problem for Rigid Molecules and Clusters by José Manuel Vásquez-Pérez (12843737)

“…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.…”

Tradeoff between execution time and predictive performance for classification algorithms. by Stephen R. Piccolo (8367780)

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Relative classification performance per combination of feature-selection and classification algorithm. by Stephen R. Piccolo (8367780)

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Face recognition algorithm flow based on the PCA. by Na Lin (69470)

An optimal solution for the HFS instance. by Xiang Tian (4369285)

“…Secondly, based on the data libraries of the IPMMPO, two tuple sets suitable for constraint programming modeling are further designed as data preprocessing. …”

Train test validation libraries. by Muhammad Usman Tariq (11022141)

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Hyperparameters of the LSTM Model. by Ahmed M. Elshewey (21463867)

“…Out of all the models, LSTM produced the best results. The AD-PSO-Guided WOA algorithm was used to adjust the hyperparameters for the LSTM model. …”

Relative performance of classification algorithms using gene-expression and clinical predictors and performing feature selection. by Stephen R. Piccolo (8367780)

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Prediction results of individual models. by Ahmed M. Elshewey (21463867)

“…Out of all the models, LSTM produced the best results. The AD-PSO-Guided WOA algorithm was used to adjust the hyperparameters for the LSTM model. …”

Top 50 genes according to average rank across feature-selection algorithms for GSE10320 and GSE46691. by Stephen R. Piccolo (8367780)

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ReaLigands: A Ligand Library Cultivated from Experiment and Intended for Molecular Computational Catalyst Design by Shu-Sen Chen (1777108)

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Relative predictive performance when using default algorithm hyperparameters and all features vs. tuning hyperparameters or selecting features. by Stephen R. Piccolo (8367780)

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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. …”