<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. …"

An optimal solution for the HFS instance. حسب 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. …"

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

Comparison based on hard instances from [79]. حسب 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. …"

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

Flowchart depicting the optimal control framework. حسب Antoine Falisse (6061601)

Process of generating MS/MS spectra from a protein mixture using mass-spectrometry analysis. حسب Muhammad Usman Tariq (11022141)

Data Sheet 7_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.docx حسب Xuehui Fan (10762662)

Data Sheet 2_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.docx حسب Xuehui Fan (10762662)

Data Sheet 9_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.xlsx حسب Xuehui Fan (10762662)

Data Sheet 5_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.docx حسب Xuehui Fan (10762662)

Data Sheet 8_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.docx حسب Xuehui Fan (10762662)

Data Sheet 6_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.docx حسب Xuehui Fan (10762662)

Data Sheet 1_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.docx حسب Xuehui Fan (10762662)

Data Sheet 3_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.docx حسب Xuehui Fan (10762662)

Data Sheet 4_Prediction of outpatient rehabilitation patient preferences and optimization of graded diagnosis and treatment based on XGBoost machine learning algorithm.docx حسب Xuehui Fan (10762662)

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)

"…Because of the semipredictive nature of the symmetric eNRTL-SAC model, the segment parameter regression is a critical step for solubility prediction accuracy. A particle swarm optimization algorithm is incorporated to preregress conceptual segment parameters of solutes. …"

Data_Sheet_1_A Global Optimizer for Nanoclusters.PDF حسب Maya Khatun (7437011)

"…We have used our strategy on some of the well-studied clusters such as Pd, Pt, Au, and Al homometallic clusters, Ru-Pt and Au-Pt binary clusters, and Ag-Au-Pt ternary cluster. We have analyzed some of the popular parameters to characterize the clusters, such as relative energy, singlet-triplet energy difference, binding energy, second-order energy difference, and mixing energy, and compared with the reported properties.…"