Homomorphic binary tree. حسب Jianhua He (341366)

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. …"

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

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

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

Microsoft excel file containing exhaustive list of Abbreviated-Injury Scale codes used to generate binary variables encoding the presence or absence of injury to various body regio... حسب Michael D. Cobler-Lichter (22492930)

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

A Practical Algorithm to Solve the Near-Congruence Problem for Rigid Molecules and Clusters حسب 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.…"

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

Texas Rio Grande Valley Red–crowned Parrot predicted general use habitat distribution as determined via a consensus-based feature ensemble of 12 calibrated (binary presence/absence... حسب Elise Varaela Voltura (17592996)

Texas Rio Grande Valley Red–crowned Parrot predicted roost site habitat distribution as determined via a consensus-based feature ensemble of 12 calibrated (binary presence/absence)... حسب Elise Varaela Voltura (17592996)

Texas Rio Grande Valley Red–crowned Parrot predicted nest site habitat distribution as determined via a consensus-based feature ensemble of 12 calibrated (binary presence/absence)... حسب Elise Varaela Voltura (17592996)

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

The overlap of Texas Rio Grande Valley Red–crowned Parrot predicted general use, roost site, and nest site habitat distributions as determined using consensus-based feature ensembl... حسب Elise Varaela Voltura (17592996)

Flat optimization method. حسب Nisha Ann Viswan (20371285)

Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start حسب Yifan Wang (380120)

"…In response to these challenges, this work presents a method to fine-tune a genetic algorithm for CAMD. The proposed method builds on the COSMO-CAMD framework that utilizes a genetic algorithm for solving optimization-based molecular design problems and COSMO-RS for predicting physical properties of molecules. …"

Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start حسب Yifan Wang (380120)

"…In response to these challenges, this work presents a method to fine-tune a genetic algorithm for CAMD. The proposed method builds on the COSMO-CAMD framework that utilizes a genetic algorithm for solving optimization-based molecular design problems and COSMO-RS for predicting physical properties of molecules. …"

Solubility Prediction of Different Forms of Pharmaceuticals in Single and Mixed Solvents Using Symmetric Electrolyte Nonrandom Two-Liquid Segment Activity Coefficient Model حسب Getachew S. Molla (6416744)

"…The solubility predictions of fusidic acid, fusidic acid acetone solvate, and sodium fusidate in various single solvents show good agreement with experimental solubility with average squared relative errors of 0.055, 0.079, and 0.084 in logarithmic mole fraction scale, respectively. The model moreover predicts solubilities in binary solvent mixture and as a function of temperature in satisfactory agreement with experimental solubility.…"

tUbenet Foundation Model Weights حسب Natalie Holroyd (7099391)