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Computer Simulation

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Optimization of shunting operation plan in large freight train depot based on DQN algorithm.

PloS one
Shunting operation plan is the main daily work of the freight train depot, the optimization of shunting operation plan is of great significance to improve the efficiency of railway operation and production and transportation. In this paper, the deep ...

AI/ML modeling to enhance the capability of in vitro and in vivo tests in predicting human carcinogenicity.

Mutation research. Genetic toxicology and environmental mutagenesis
This study aimed to develop an in silico model for predicting human carcinogenicity using advanced deep learning techniques, specifically Graph Neural Networks (GNN), through a multitask learning (MTL) approach. The MTL framework leveraged auxiliary ...

[Mesoscale simulation and AI optimization of bioprocesses].

Sheng wu gong cheng xue bao = Chinese journal of biotechnology
As green, sustainable, and environmentally friendly material processing processes using biological cells or enzymes to achieve substance conversion, bioprocesses play an increasingly important role in biomanufacturing. It is difficult to optimize bio...

[Artificial intelligence-enhanced physics-based computational modeling technologies for proteins].

Sheng wu gong cheng xue bao = Chinese journal of biotechnology
Computational modeling is an invaluable tool for mechanism analysis, directed engineering, and rational design of biological parts, metabolic networks, and even cellular systems. It can provide new technological solutions to address biological challe...

The reality of modeling irritable bowel syndrome: progress and challenges.

Expert opinion on drug discovery
INTRODUCTION: Irritable bowel syndrome (IBS) is a common gastrointestinal disorder that is often therapeutically challenging. While research has advanced our understanding of IBS pathophysiology, developing precise models to predict drug response and...

Parametric cushioning lattice insole based on finite element method and machine learning: A preliminary computational analysis.

Journal of biomechanics
The cushioning performance of insole has always been a critical consideration in its design. While the development of intelligent methods and the emergence of additive manufacturing (AM) technology have enhanced design freedom and convenience, a stan...

Machine learning-based in-silico analysis identifies signatures of lysyl oxidases for prognostic and therapeutic response prediction in cancer.

Cell communication and signaling : CCS
BACKGROUND: Lysyl oxidases (LOX/LOXL1-4) are crucial for cancer progression, yet their transcriptional regulation, potential therapeutic targeting, prognostic value and involvement in immune regulation remain poorly understood. This study comprehensi...

Using explainable machine learning to predict the irritation and corrosivity of chemicals on eyes and skin.

Toxicology letters
Contact with specific chemicals often results in corrosive and irritative responses in the eyes and skin, playing a pivotal role in assessing the potential hazards of personal care products, cosmetics, and industrial chemicals to human health. While ...

Portal dose image prediction using Monte Carlo generated transmission energy fluence maps of dynamic radiotherapy treatment plans: a deep learning approach.

Biomedical physics & engineering express
This work aims to develop and investigate the feasibility of a hybrid model combining Monte Carlo (MC) simulations and deep learning (DL) to predict electronic portal imaging device (EPID) images based on MC-generated exit phase space energy fluence ...