CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space by Christina Humer, Rachel Nicholls, Henry Heberle, Moritz Heckmann, Michael Pühringer, Thomas Wolf, Maximilian Lübbesmeyer, Julian Heinrich, Julius Hillenbrand, Giulio Volpin, Marc Streit

“…CIME4R aids decision-making through the interaction between humans and AI by combining the strengths of expert experience and high computational precision. We developed and tested CIME4R with domain experts and verified its usefulness in three case studies. …”
Get full text

Acute effect of technique modification training on 180° change of direction performance and kinematics in adolescent male soccer players by Hayato Nakamura, Daichi Yamashita, Daichi Nishiumi, Naoto Nakaichi, Norikazu Hirose

“…Center of mass (COM) velocity and trunk and lower limb kinematics were computed from three-dimensional kinematic data collected during the Pro-Agility test using a markerless motion capture system. …”
Get full text

Intratumoral and peritumoral radiomics for forecasting microsatellite status in gastric cancer: a multicenter study by Yunzhou Xiao, Jianping Zhu, Huanhuan Xie, Zhongchu Wang, Zhaohai Huang, Miaoguang Su

“…The optimal model was determined by evaluating the Receiver Operating Characteristic (ROC) curve's Area Under the Curve (AUC), and the radiomics score (Radscore) was computed. A clinical model was developed using clinical characteristics and CT semantic features, with the Radscore integrated to create a combined model. …”
Get full text

A measure of the difference between test sets for generating controlled random tests by V. N. Yarmolik, V. V. Petrovskaya, I. Mrozek

“…The main attention is paid to binary test sets, when the task of calculating given difference metric is reduced to the classical assignment problem using the Hungarian algorithm. The computational complexity of the Hungarian algorithm is estimated by the relation O(n4). …”
Get full text

Exploring advanced nanostructures and functional materials for efficient hydrogen storage: a theoretical investigation on mechanisms, adsorption process, and future directions by Gourhari Jana, Pratim Kumar Chattaraj

“…Density Functional Theory (DFT) based computations are used to analyze binding energies, thermodynamic stability, and adsorption mechanisms. …”
Get full text

Effect of anti-sclerostin antibody on orthodontic tooth movement in ovariectomized rats by Hyunna Ahn, Wonse Park, Sung-Hwan Choi, Namki Hong, Jisun Huh, Seoyeon Jung

“…The effects on alveolar bone and periodontal tissues were evaluated through micro-computed tomography (micro-CT) analysis, tartrate-resistant acid phosphatase (TRAP) staining, and immunohistochemistry (IHC) analysis. …”
Get full text

A prediction risk score for HIV among adolescent girls and young women in South Africa: identifying those in need of HIV pre-exposure prophylaxis by Reuben Christopher Moyo, Darshini Govindasamy, Samuel Om Manda, Peter Suwirakwenda Nyasulu

“…The HIV acquisition risk scores were computed by combining coefficients of a multivariate logistic regression model of HIV positivity. …”
Get full text

Correcting forest aboveground biomass biases by incorporating independent canopy height retrieval with conventional machine learning models using GEDI and ICESat-2 data by Biao Zhang, Zhichao Wang, Tiantian Ma, Zhihao Wang, Hao Li, Wenxu Ji, Mingyang He, Ao Jiao, Zhongke Feng

“…The spectral saturation point was computed using a semi-variance function, and the contribution of CH features to AGB estimates was quantified across different gradients, especially when AGB neared or surpassed the saturation point. …”
Get full text

Information Geometry and Manifold Learning: A Novel Framework for Analyzing Alzheimer’s Disease MRI Data by Ömer Akgüller, Mehmet Ali Balcı, Gabriela Cioca

“…Geodesic distances, computed with the Fisher Information metric, quantified class differences. …”
Get full text

Hydrogeochemical characterization of groundwater using water quality index and multivariate statistical analysis in Binji town and environs, Sokoto basin, Northwestern Nigeria by Ibrahim Mohammed Abdullahi, Lawali Abubakar, Garba Saidu, Hassan Yusuf

“…Five different water types were identified in the area with Ca + Mg- HCO3 dominating other types. Computed water quality index (WQI) for drinking water gave values that are within the range of 18–77.5 indicating the groundwater to be within the excellent and good classes of suitable drinking water quality. …”
Get full text

Five-Year Follow-Up of a Slowly Resorbable Biosynthetic P4HB Mesh (Phasix) in VHWG Grade 3 Incisional Hernia Repair by L. M. Van den Dop, MD, M. M. J. Van Rooijen, MD, PhD, T. Tollens, MD, L. N. Jørgensen, MD, PhD, T. S. De Vries-Reilingh, MD, PhD, G. Piessen, MD, PhD, F. Köckerling, MD, PhD, M. Miserez, MD, PhD, M. Dean, MD, F. Berrevoet, MD, PhD, B. Dousset, MD, PhD, H. L. Van Westreenen, MD, PhD, F. Gossetti, MD, PhD, G. W. M. Tetteroo, MD, PhD, A. Koch, MD, PhD, M. F. Boomsma, MD, PhD, J. F. Lange, MD, PhD, J. Jeekel, MD, PhD

“…Patients with VHWG grade 3 incisional midline hernia, who participated in the Phasix trial (Clinilcaltrials.gov: NCT02720042) were included by means of physical examination and computed tomography (CT). Primary outcome was hernia recurrence; secondary outcomes comprised of long-term mesh complications, reoperations, and abdominal wall pain [visual analogue score (VAS): 0–10]. …”
Get full text

Additive interaction of conjoint tobacco smoking and heavy drinking on hypertension prevalence in rural Uganda: a community-based cross-sectional study by Paineto Masengere, Nynke Halbesma, Rawlance Ndejjo, Bonny Enock Balugaba, Rhoda K. Wanyenze, Fred Nuwaha, Hilde Bastiaens, Geofrey Musinguzi

“…To determine effect modification due to combined tobacco smoking and heavy drinking, the relative excess risk due to interaction (RERI) was computed. All analyses were performed via R programming software version 4.2.3. …”
Get full text

Langerhans cell histiocytosis in children: the value of ultrasound in diagnosis and follow-up by Jinjin Yang, Xiaohua Huang, Zhongtao Bao, Jing Xu, Huimei Huang, Hongjie Huang, Ling Chen

“…We analyzed the clinical characteristics, ultrasound (US) images, and images from other modalities, including X-ray, computed tomography (CT), and magnetic resonance imaging (MRI). …”
Get full text

The impact of maximum cross-sectional area of lesion on predicting the early therapeutic response of multidrug-resistant tuberculosis by Fuzhen Zhang, Yu Zhang, Zilong Yang, Ruichao Liu, Shanshan Li, Yu Pang, Liang Li

“…This study aims to merge the maximum lesion cross-sectional area observed via computed tomography (CT) imaging during treatment to predict therapeutic response. …”
Get full text

Study on its application and unstable risk subarea estimation method of mountainous traffic engineering’s spoil ground by Jihong Zhang, Zhongji Dong, Xiaotao Yin, Min Yang

“…And moving distance of waste dump sliding body is induced by energy balance equation. 3) Minimum and maximum of moving distance are computed under maximum and minimum of sliding friction coefficient conditions. …”
Get full text

An Assessment of Ammonia Emissions from Dairy Facilities in Pennsylvania by James D. Ferguson, Zhengxia Dou, Charles F. Ramberg

“…Data for animal description (milk production, body weight, growth, and pregnancy status) and ration components and amounts consumed for each animal group were input into the excretion model of the Dairy Nutrient Planner computer program (DNP). Excretion of fecal N and dry matter (DM), urinary N, and total P and K were produced for each animal group and used to assess potential volatile losses of N. …”
Get full text

(<i>E</i>)-1-(3-(3-Hydroxy-4-Methoxyphenyl)-1-(3,4,5-Trimethoxyphenyl)allyl)-1<i>H</i>-1,2,4-Triazole and Related Compounds: Their Synthesis and Biological Evaluation as Novel Anti... by Gloria Ana, Azizah M. Malebari, Sara Noorani, Darren Fayne, Niamh M. O’Boyle, Daniela M. Zisterer, Elisangela Flavia Pimentel, Denise Coutinho Endringer, Mary J. Meegan

“…Immunofluorescence studies confirmed that compound <b>22b</b> targeted tubulin in MCF-7 cells, while computational docking studies predicted binding conformations for <b>22b</b> in the colchicine binding site of tubulin. …”
Get full text

The reliably stable neural network controllers' synthesis with the transient process parameters optimization by Serhii Vladov, Anatoliy Sachenko, Victoria Vysotska, Yevhen Volkanin, Dmytro Kukharenko, Danylo Severynenko

“…The tasks to be solved are: study the stability of a closed-loop control system with a neural network controller, train the neurocontroller and Lyapunov neural network function, create an optimization model for the loss function minimization, and conduct a computational experiment as an example of the neural network stabilizing controller synthesis. …”
Get full text

The clinical application and anatomical analysis of proximal peroneal artery perforator in free fibula flap based on CTA by Yitong Zhao, Danwei Xiang, Lina Song, Zhujiajun Cui, Xingwu Zheng, Tianyu Zhang, Huihui Yang, Yongzhen Fu, Qilin Liu

“…This study aims to investigate the anatomical characteristics—including the presence, distribution, and origin—of proximal peroneal perforators through computed tomography angiography (CTA) prior to surgical intervention. …”
Get full text

Prediction of subsequent vertebral fracture after percutaneous vertebral augmentation using MRI-based vertebral bone quality and CT-based Hounsfield units: a retrospective cross-se... by Youdi Xue, Kun Shi, Weixiang Dai, Chao Ma, Jie Li

“…Abstract Subsequent vertebral fracture (SVF) is a common and refractory complication after percutaneous vertebral augmentation (PVA) for osteoporotic vertebral compression fracture (OVCF). Computed tomography (CT)-based Hounsfeld units (HU) and magnetic resonance imaging (MRI)-based vertebral bone quality (VBQ) score can evaluate osteoporosis quantitatively, hyperlipidemia(HLP) might affect measurement result of VBQ score. …”
Get full text