Sensitivity values of IRBMO vs. other binary algorithms. حسب Chenyi Zhu (9383370)

Specificity values of IRBMO vs. other binary algorithms. حسب Chenyi Zhu (9383370)

Fitness values of IRBMO vs. other binary algorithms. حسب Chenyi Zhu (9383370)

Number of features selected for IRBMO vs. other binary algorithms. حسب Chenyi Zhu (9383370)

Classification accuracy values of IRBMO vs. other binary algorithms. حسب Chenyi Zhu (9383370)

F-score values of IRBMO vs. other binary algorithms. حسب Chenyi Zhu (9383370)

Numerical example for determining the optimal number of clusters in Algorithm 2. حسب Yi Wei Tye (22208735)

Binary contingency table. حسب Lu Xiao (314030)

<i>De Novo</i> Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization حسب 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. …"

Top-performing model configuration and performance by algorithm type. حسب Uğur Ejder (22683228)

الموضوعات:

RMSE on the test data when fitting (logistic) quadratic models to binary data across increasing measurement error values . حسب Jakub Stoklosa (3315042)

Confusion matrix for a binary outcome (adapted from Fawcett [30]). حسب João Albuquerque (12936572)

RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms حسب 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. …"

The Pseudo-Code of the IRBMO Algorithm. حسب Chenyi Zhu (9383370)

"…To adapt to the feature selection problem, we convert the continuous optimization algorithm to binary form via transfer function, which further enhances the applicability of the algorithm. …"

Flow diagram of the proposed model. حسب Uğur Ejder (22683228)

الموضوعات:

Convergence curve of feature selection algorithms across 11 datasets with KNN classifier. حسب Yi Wei Tye (22208735)

IRBMO vs. meta-heuristic algorithms boxplot. حسب Chenyi Zhu (9383370)

"…To adapt to the feature selection problem, we convert the continuous optimization algorithm to binary form via transfer function, which further enhances the applicability of the algorithm. …"

IRBMO vs. feature selection algorithm boxplot. حسب Chenyi Zhu (9383370)

"…To adapt to the feature selection problem, we convert the continuous optimization algorithm to binary form via transfer function, which further enhances the applicability of the algorithm. …"

Effects of Class Imbalance and Data Scarcity on the Performance of Binary Classification Machine Learning Models Developed Based on ToxCast/Tox21 Assay Data حسب Changhun Kim (682542)

"…In this study, the effects of CI and data scarcity (DS) on the performance of binary classification models were investigated using ToxCast bioassay data. …"

The comparison of the accuracy score of the benchmark and the proposed models. حسب Uğur Ejder (22683228)

الموضوعات: