Predicting Thermal Decomposition Temperature of Binary Imidazolium Ionic Liquid Mixtures from Molecular Structures by Hongpeng He (348094)

“…The subset of optimal descriptors was screened by combining the genetic algorithm with the multiple linear regression method. …”

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

“…The algorithm was applied to aqueous, binary mixture systems composed of 37 common biochemical substances such as amino acids, organic acids, and sugars. …”

Identification and quantitation of clinically relevant microbes in patient samples: Comparison of three k-mer based classifiers for speed, accuracy, and sensitivity by George S. Watts (7962206)

“…We tested the accuracy, sensitivity, and resource requirements of three top metagenomic taxonomic classifiers that use fast k-mer based algorithms: Centrifuge, CLARK, and KrakenUniq. Binary mixtures of bacteria showed all three reliably identified organisms down to 1% relative abundance, while only the relative abundance estimates of Centrifuge and CLARK were accurate. …”

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

“…The model moreover predicts solubilities in binary solvent mixture and as a function of temperature in satisfactory agreement with experimental solubility.…”

Silibinin solubilization: combined effect of co-solvency and inclusion complex formation by Azam Dehghan (18434551)

“…The solubility in PBS-ethanol mixtures followed a log-linear model. SLB solubility in the presence of the ethanol co-solvent and HP-β-CD complexing agent was optimized by adopting a genetic algorithm suggesting the phosphate buffer saline solution supplemented by 6%v/v ethanol and 8 mM HP-β-CD as an optimized medium. …”

DataSheet_1_Multi-Parametric MRI-Based Radiomics Models for Predicting Molecular Subtype and Androgen Receptor Expression in Breast Cancer.docx by Yuhong Huang (115702)

“…We applied several feature selection strategies including the least absolute shrinkage and selection operator (LASSO), and recursive feature elimination (RFE), the maximum relevance minimum redundancy (mRMR), Boruta and Pearson correlation analysis, to select the most optimal features. We then built 120 diagnostic models using distinct classification algorithms and feature sets divided by MRI sequences and selection strategies to predict molecular subtype and AR expression of breast cancer in the testing dataset of leave-one-out cross-validation (LOOCV). …”