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

Subjects:

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

Subjects:

a) Accuracy and b) selected feature size of algorithms on the COVID-19 dataset. by Nebojsa Bacanin (13932723)

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. …”

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

Histograms of various water quality parameters, including pH, Hardness, Solids, Chloramines, Sulfate, Organic Carbon, Trihalomethanes, Turbidity, and a binary portability check. by Amal H. Alharbi (21755906)

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

Optimizing Kernel Transformations to Handle Binary Class Imbalanced Dataset Classification by Vaibhavi Patel (19843282)

Schematic of iteration process of IDE-IIGA. by Ling Zhao (111365)

Feature selection process. by Balraj Preet Kaur (20370832)

Proposed Algorithm. by Hend Bayoumi (22693738)

“…To enhance the offloading decision-making process, the algorithm incorporates the Newton-Raphson method for fast and efficient optimization of the computation rate under energy constraints. …”

Homomorphic binary tree. by Jianhua He (341366)

<i>hi</i>PRS algorithm process flow. by Michela C. Massi (14599915)

Comparisons between ADAM and NADAM optimizers. by Hend Bayoumi (22693738)

“…To enhance the offloading decision-making process, the algorithm incorporates the Newton-Raphson method for fast and efficient optimization of the computation rate under energy constraints. …”

Fine-Tuning a Genetic Algorithm for CAMD: A Screening-Guided Warm Start by 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 by 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. …”

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. …”

A* Path-Finding Algorithm to Determine Cell Connections by Max Weng (22327159)

“…To address this, the research integrates a modified A* pathfinding algorithm with a U-Net convolutional neural network, a custom statistical binary classification method, and a personalized Min-Max connectivity threshold to automate the detection of astrocyte connectivity.…”

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

“…The percentage mean absolute residuals of the activity coefficients obtained using DEA, NMM, and the parameter estimation tool in Aspen Plus were in the ranges of 0.05–16.69, 0.05–16.69, and 0.09–326.77%, respectively. This in-house algorithm will be helpful for obtaining more accurate NRTL parameters in a timely manner and will facilitate the simulation of biochemical processes for process optimization, energy consumption estimation, and life cycle assessment.…”

Optimized Bayesian regularization-back propagation neural network using data-driven intrusion detection system in Internet of Things by Ashok Kumar K (21441108)

“…Hence, Binary Black Widow Optimization Algorithm (BBWOA) is proposed in this manuscript to improve the BRBPNN classifier that detects intrusion precisely. …”