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Defining and predicting textbook outcomes in laparoscopic distal pancreatectomy
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作者 Xiao-Rui Huang Deng-Sheng Zhu +6 位作者 Xin-Yi Guo Jing-Zhao Zhang Zhen Zhang Huan Zheng Tong Guo Ya-Hong Yu Zhi-Wei Zhang 《World Journal of Gastroenterology》 2026年第1期139-150,共12页
BACKGROUND Laparoscopic distal pancreatectomy(LDP)has emerged as the preferred approach for both benign and malignant lesions located in the pancreatic body and tail.Nevertheless,a notable deficiency persists in the a... BACKGROUND Laparoscopic distal pancreatectomy(LDP)has emerged as the preferred approach for both benign and malignant lesions located in the pancreatic body and tail.Nevertheless,a notable deficiency persists in the absence of a standardized,procedure-specific metric for evaluating and comparing surgical quality.A composite measure termed“textbook outcome(TO)”,which encompasses key short-term endpoints,has been validated in laparoscopic pancreatoduodenectomy but has not yet been established in dedicated LDP cohorts.The definition and prediction of TO in this context could aid in facilitating cross-institutional benchmarking and fostering advancements in quality improvement.AIM To establish procedure-specific criteria for TO and identify independent predictors of TO failure in patients undergoing LDP.METHODS Consecutive patients who underwent LDP at a single high-volume pancreatic center between January 2015 and August 2022 were retrospectively analyzed.TO was defined as the absence of clinically relevant postoperative pancreatic fistula(grade B/C),post-pancreatectomy hemorrhage(grade B/C),severe complications(Clavien-Dindo≥III),readmission within 30 days,and in-hospital or 30-day mortality.Multivariable logistic regression was employed to identify independent predictors of TO failure,and a nomogram was constructed and internally validated.RESULTS Among 405 eligible patients,286(70.6%)attained TO.Multivariable analysis revealed that female sex[odds ratio(OR)=0.62,95%confidence interval(CI):0.39-0.99]conferred a protective effect,while preoperative endoscopic ultrasound-guided fine-needle aspiration(OR=2.66,95%CI:1.05-6.73),pancreatic portal hypertension(OR=2.81,95%CI:1.06-7.45),and cystic-solid(OR=2.51,95%CI:1.34-4.69)or solid lesions(OR=1.91,95%CI:1.06-3.44)were independently associated with TO failure(all P<0.05).The derived nomogram exhibited modest discrimination and calibration when assessed in both the training and validation datasets.CONCLUSION The proposed LDP-specific definition of TO is feasible and discriminative,and the developed nomogram provides an objective tool for individualized risk assessment. 展开更多
关键词 Laparoscopic distal pancreatectomy Textbook outcome PREDICTORS Risk prediction model NOMOGRAM
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Radiomics and clinicoradiological factors as a promising approach for predicting microvascular invasion in hepatitis B-related hepatocellular carcinoma
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作者 Weronika Kruczkowska Julia Gałęziewska +3 位作者 Mateusz Kciuk Żaneta Kałuzińska-Kołat Lin-Yong Zhao Damian Kołat 《World Journal of Gastroenterology》 2025年第11期1-5,共5页
Microvascular invasion(MVI)is a critical factor in hepatocellular carcinoma(HCC)prognosis,particularly in hepatitis B virus(HBV)-related cases.This editorial examines a recent study by Xu et al who developed models to... Microvascular invasion(MVI)is a critical factor in hepatocellular carcinoma(HCC)prognosis,particularly in hepatitis B virus(HBV)-related cases.This editorial examines a recent study by Xu et al who developed models to predict MVI and high-risk(M2)status in HBV-related HCC using contrast-enhanced computed tomography(CECT)radiomics and clinicoradiological factors.The study analyzed 270 patients,creating models that achieved an area under the curve values of 0.841 and 0.768 for MVI prediction,and 0.865 and 0.798 for M2 status prediction in training and validation datasets,respectively.These results are comparable to previous radiomics-based approaches,which reinforces the potential of this method in MVI prediction.The strengths of the study include its focus on HBV-related HCC and the use of widely accessible CECT imaging.However,limitations,such as retrospective design and manual segmentation,highlight areas for improvement.The editorial discusses the implications of the study including the need for standardized radiomics approaches and the potential impact on personalized treatment strategies.It also suggests future research directions,such as exploring mechanistic links between radiomics features and MVI,as well as integrating additional biomarkers or imaging modalities.Overall,this study contributes significantly to HCC management,paving the way for more accurate,personalized treatment approaches in the era of precision oncology. 展开更多
关键词 Hepatocellular carcinoma HEPATITIS-B Microvascular invasion Radiomics predicting factors
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Evaluation of pathological findings in predicting postoperative endoscopic recurrence in Crohn’s disease:A retrospective cohort study
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作者 Işıl Karabulut ErdinçÇetinkaya +2 位作者 Nesrin Turhan Oyku Tayfur Yurekli Mesut Tez 《World Journal of Gastrointestinal Surgery》 2025年第9期73-78,共6页
BACKGROUND Crohn’s disease(CD)patients with intestinal involvement often require surgical intervention due to resistance to medical therapy.Postoperative recurrence remains a significant challenge,with the Rutgeerts ... BACKGROUND Crohn’s disease(CD)patients with intestinal involvement often require surgical intervention due to resistance to medical therapy.Postoperative recurrence remains a significant challenge,with the Rutgeerts score commonly used to predict endoscopic recurrence.AIM To evaluate the relationship between microscopic and macroscopic pathological findings in resected intestinal specimens and the Rutgeerts score to predict endoscopic recurrence in CD patients.METHODS This retrospective cohort study included 32 patients over 18 years of age with intestinal CD who underwent surgery at General Surgery Clinic of Ankara Bilkent City Hospital between November 2019 and October 2023.Resection specimens were histopathologically re-examined,and postoperative colonoscopy reports were classified according to the Rutgeerts score.The association between pathological findings and endoscopic recurrence was analyzed statistically.RESULTS No significant association was found between macroscopic findings and Rutgeerts scores or endoscopic recurrence(P>0.05).However,the presence and severity of neutrophilic cryptitis(P=0.035)and crypt abscesses(P=0.010)in microscopic findings were significantly associated with higher Rutgeerts scores,indicating a parallel increase with endoscopic recurrence.Other microscopic findings showed no significant correlation with Rutgeerts scores or endoscopic recurrence(P>0.05).CONCLUSION The presence of neutrophilic cryptitis and crypt abscesses in resected intestinal specimens of CD patients increases the likelihood of endoscopic recurrence.Early postoperative medical treatment and close endoscopic follow-up may benefit high-risk patients to prevent recurrence,with treatment decisions made by a weekly multidisciplinary council involving General Surgery,Gastroenterology,and Radiology. 展开更多
关键词 Crohn’s disease Endoscopic recurrence Pathological findings Rutgeerts score predicting
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Spectral computed tomography parameters of primary tumors and lymph nodes for predicting tumor deposits in colorectal cancer
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作者 Yi-Fan Lai Zhao-Ming Liang +3 位作者 Jing-Fang Li Jia-Ying Zhang Ding-Hua Xu Hai-Yang Dai 《World Journal of Radiology》 2025年第4期12-21,共10页
BACKGROUND Tumor deposits(TDs)are an independent predictor of poor prognosis in colorec-tal cancer(CRC)patients.Enhanced follow-up and treatment monitoring for TD+patients may improve survival rates and quality of lif... BACKGROUND Tumor deposits(TDs)are an independent predictor of poor prognosis in colorec-tal cancer(CRC)patients.Enhanced follow-up and treatment monitoring for TD+patients may improve survival rates and quality of life.However,the detection of TDs relies primarily on postoperative pathological examination,which may have a low detection rate due to sampling limitations.AIM To evaluate the spectral computed tomography(CT)parameters of primary tu-mors and the largest regional lymph nodes(LNs),to determine their value in predicting TDs in CRC.METHODS A retrospective analysis was conducted which included 121 patients with CRC whose complete spectral CT data were available.Patients were divided into the TDs+group and the TDs-group on the basis of their pathological results.Spectral CT parameters of the primary CRC lesion and the largest regional LNs were measured,including the normalized iodine concentration(NIC)in both the arte-rial and venous phases,and the LN-to-primary tumor ratio was calculated.Stati-stical methods were used to evaluate the diagnostic efficacy of each spectral para-meter.RESULTS Among the 121 CRC patients,33(27.2%)were confirmed to be TDs+.The risk of TDs positivity was greater in patients with positive LN metastasis,higher N stage and elevated carcinoembryonic antigen and cancer antigen 19-9 levels.The NIC(LNs in both the arterial and venous phases),NIC(primary tumors in the venous phase),and the LN-to-primary tumor ratio in both the arterial and venous phases were associated with TDs(P<0.05).In mul-tivariate logistic regression analysis,the arterial phase LN-to-primary tumor ratio was identified as an independent predictor of TDs,demonstrating the highest diagnostic performance(area under the curve:0.812,sensitivity:0.879,specificity:0.648,cutoff value:1.145).CONCLUSION The spectral CT parameters of the primary colorectal tumor and the largest regional LNs,especially the LN-to-primary tumor ratio,have significant clinical value in predicting TDs in CRC. 展开更多
关键词 Spectral computed tomography Colorectal cancer Tumor deposits predicting effectiveness
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Artificial intelligence goes from predicting structure to predicting stability
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作者 Gary J.Pielak Conggang Li Maili Liu 《Magnetic Resonance Letters》 2025年第1期75-76,共2页
AlphaFold[1]has turned everyone into a structural biologist.No need for knowledge of Fourier transforms or spectral density,driven by artificial intelligence(AI),all one needs to do is enter the primary structure of a... AlphaFold[1]has turned everyone into a structural biologist.No need for knowledge of Fourier transforms or spectral density,driven by artificial intelligence(AI),all one needs to do is enter the primary structure of a folded protein,and out pops a tertiary structure nearly as good as one from an experiment-based structure. 展开更多
关键词 structure. STRUCTURE predicting
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Grey series time-delay predicting model in state estimation for power distribution networks 被引量:1
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作者 蔡兴国 安天瑜 周苏荃 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2003年第2期120-123,共4页
A new combined model is proposed to obtain predictive data value applied in state estimation for radial power distribution networks. The time delay part of the model is calculated by a recursive least squares algorith... A new combined model is proposed to obtain predictive data value applied in state estimation for radial power distribution networks. The time delay part of the model is calculated by a recursive least squares algorithm of system identification, which can gradually forget past information. The grey series part of the model uses an equal dimension new information model (EDNIM) and it applies 3 points smoothing method to preprocess the original data and modify remnant difference by GM(1,1). Through the optimization of the coefficient of the model, we are able to minimize the error variance of predictive data. A case study shows that the proposed method achieved high calculation precision and speed and it can be used to obtain the predictive value in real time state estimation of power distribution networks. 展开更多
关键词 radial power distribution networks predicting model of time delay predicting model of grey series combined optimized predicting model
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Exploring artificial intelligence approaches for predicting synergistic effects of active compounds in traditional Chinese medicine based on molecular compatibility theory 被引量:1
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作者 Yiwen Wang Tong Wu +5 位作者 Xingyu Li Qilan Xu Heshui Yu Shixin Cen Yi Wang Zheng Li 《Chinese Journal of Natural Medicines》 2025年第11期1409-1424,共16页
Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”co... Due to its synergistic effects and reduced side effects,combination therapy has become an important strategy for treating complex diseases.In traditional Chinese medicine(TCM),the“monarch,minister,assistant,envoy”compatibilities theory provides a systematic framework for drug compatibility and has guided the formation of a large number of classic formulas.However,due to the complex compositions and diverse mechanisms of action of TCM,it is difficult to comprehensively reveal its potential synergistic patterns using traditional methods.Synergistic prediction based on molecular compatibility theory provides new ideas for identifying combinations of active compounds in TCM.Compared to resource-intensive traditional experimental methods,artificial intelligence possesses the ability to mine synergistic patterns from multi-omics and structural data,providing an efficient means for modeling and optimizing TCM combinations.This paper systematically reviews the application progress of AI in the synergistic prediction of TCM active compounds and explores the challenges and prospects of its application in modeling combination relationships,thereby contributing to the modernization of TCM theory and methodological innovation. 展开更多
关键词 Molecular compatibility theory Synergy prediction of TCM compounds Molecular drugs combination prediction Artificial intelligence
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Predicting the productivity of fractured horizontal wells using few-shot learning 被引量:1
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作者 Sen Wang Wen Ge +5 位作者 Yu-Long Zhang Qi-Hong Feng Yong Qin Ling-Feng Yue Renatus Mahuyu Jing Zhang 《Petroleum Science》 2025年第2期787-804,共18页
Predicting the productivity of multistage fractured horizontal wells plays an important role in exploiting unconventional resources.In recent years,machine learning(ML)models have emerged as a new approach for such st... Predicting the productivity of multistage fractured horizontal wells plays an important role in exploiting unconventional resources.In recent years,machine learning(ML)models have emerged as a new approach for such studies.However,the scarcity of sufficient real data for model training often leads to imprecise predictions,even though the models trained with real data better characterize geological and engineering features.To tackle this issue,we propose an ML model that can obtain reliable results even with a small amount of data samples.Our model integrates the synthetic minority oversampling technique(SMOTE)to expand the data volume,the support vector machine(SVM)for model training,and the particle swarm optimization(PSO)algorithm for optimizing hyperparameters.To enhance the model performance,we conduct feature fusion and dimensionality reduction.Additionally,we examine the influences of different sample sizes and ML models for training.The proposed model demonstrates higher prediction accuracy and generalization ability,achieving a predicted R^(2)value of up to 0.9 for the test set,compared to the traditional ML techniques with an R^(2)of 0.13.This model accurately predicts the production of fractured horizontal wells even with limited samples,supplying an efficient tool for optimizing the production of unconventional resources.Importantly,the model holds the potential applicability to address similar challenges in other fields constrained by scarce data samples. 展开更多
关键词 Fractured horizontal well Machine learning SMOTE Few-shot learning PREDICTION Optimization
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A model for predicting dropout of higher education students 被引量:1
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作者 Anaíle Mendes Rabelo Luis Enrique Zárate 《Data Science and Management》 2025年第1期72-85,共14页
Higher education institutions are becoming increasingly concerned with the retention of their students.This work is motivated by the interest in predicting and reducing student dropout,and consequently in reducing the... Higher education institutions are becoming increasingly concerned with the retention of their students.This work is motivated by the interest in predicting and reducing student dropout,and consequently in reducing the financial losses of said institutions.Based on the characterization of the dropout problem and the application of a knowledge discovery process,an ensemble model is proposed to improve dropout prediction.The ensemble model combines the results of three models:logistic regression,neural networks,and decision tree.As a result,the model can correctly classify 89%of the students as enrolled or dropped and accurately identify 98.1%of dropouts.When compared with the Random Forest ensemble method,the proposed model demonstrates desirable characteristics to assist management in proposing actions to retain students. 展开更多
关键词 Educational data mining Dropout prediction Regression logistic Decision tree Neural networks
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Analyzing fatigue behaviors and predicting fatigue life of cement-stabilized permeable recycled aggregate material 被引量:1
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作者 YANG Tao XIAO Yuan-jie +6 位作者 LI Yun-bo WANG Xiao-ming HUA Wen-jun HE Qing-yu CHEN Yu-liang ZHOU Zhen MENG Fan-wei 《Journal of Central South University》 2025年第4期1481-1502,共22页
Permeable roads generally exhibit inferior mechanical properties and shorter service life than traditional dense-graded/impermeable roads.Furthermore,the incorporation of recycled aggregates in their construction may ... Permeable roads generally exhibit inferior mechanical properties and shorter service life than traditional dense-graded/impermeable roads.Furthermore,the incorporation of recycled aggregates in their construction may exacerbate these limitations.To address these issues,this study introduced a novel cement-stabilized permeable recycled aggregate material.A total of 162 beam specimens prepared with nine different levels of cement-aggregate ratio were tested to evaluate their permeability,bending load,and bending fatigue life.The experimental results indicate that increasing the content of recycled aggregates led to a reduction in both permeability and bending load.Additionally,the inclusion of recycled aggregates diminished the energy dissipation capacity of the specimens.These findings were used to establish a robust relationship between the initial damage in cement-stabilized permeable recycled aggregate material specimens and their fatigue life,and to propose a predictive model for their fatigue performance.Further,a method for assessing fatigue damage based on the evolution of fatigue-induced strain and energy dissipation was developed.The findings of this study provide valuable insights into the mechanical behavior and fatigue performance of cement-stabilized permeable recycled aggregate materials,offering guidance for the design of low-carbon-emission,permeable,and durable roadways incorporating recycled aggregates. 展开更多
关键词 cement-stabilized permeable recycle aggregate materials PERMEABILITY fatigue life prediction fatigue damage energy dissipation
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Novel approach to risk stratification:Integrating waist-hip ratio for predicting advanced colorectal neoplasia
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作者 Arvind Mukundan Devansh Gupta +1 位作者 Riya Karmakar Hsiang-Chen Wang 《World Journal of Clinical Oncology》 2025年第10期9-13,共5页
The urgent necessity for enhanced risk stratification to improve the efficiency of colonoscopy screening is underscored by the fact that colorectal cancer(CRC)continues to be a primary cause of global cancer mortality... The urgent necessity for enhanced risk stratification to improve the efficiency of colonoscopy screening is underscored by the fact that colorectal cancer(CRC)continues to be a primary cause of global cancer mortality.Conventional models mostly rely on generalized obesity markers including body mass index(BMI),which does not effectively represent oncogenic risk linked with abdominal obesity.Liu et al undertook a large-scale case-control study comprising 6484 firsttime colonoscopy patients at a prominent Chinese hospital between 2020 and 2023 to overcome this restriction.Age,male sex,smoking status,and raised waist-hip ratio(WHR)were found by multivariate logistic regression as independent predictors of advanced colorectal neoplasia(ACN).In a validation cohort of 1891 individuals,a new 7-point risk scoring model was created and stratified into low-(5.0%)ACN prevalence,moderate-(10.3%)and high-risk(17.6%).With C-statistic=0.66 the model showed better discriminating ability than the Asia-Pacific Colorectal Screening(APCS)score(C-statistic=0.63)and the BMI-modified APCS model.These results fit newly published data showing central obesity as a major carcinogenic driver via pro-inflammatory visceral adipokine channels.With the use of WHR,patient risk classification is greatly improved,providing a practical tool to make the most of screening resources in the face of rising CRC incidence rates.Finally,multi-ethnic validation is necessary for the WHR-based scoring model to be considered for integration into global CRC preventive frameworks,since it improves the accuracy of ACN risk prediction. 展开更多
关键词 Colorectal cancer Advanced colorectal neoplasia Risk prediction model Waist-hip ratio Central obesity Colonoscopy screening Cancer risk stratification Visceral adiposity Predictive analytics Precision oncology
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Efficiency-enhancing methods for predicting nitrogen mineralization characteristics in paddy soils using soil properties and rapid soil extractions
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作者 Yujuan LIU Yuqi CHEN +6 位作者 Xiuyun LIU Siyuan CAI Jiahui YUAN Lingying XU Yu WANG Xu ZHAO Xiaoyuan YAN 《Pedosphere》 2025年第6期1054-1064,共11页
Soil mineralized nitrogen(N)is a vital component of soil N supply capacity and an important N source for rice growth.Unveiling N mineralization(Nm)process characteristics and developing a simple and effective approach... Soil mineralized nitrogen(N)is a vital component of soil N supply capacity and an important N source for rice growth.Unveiling N mineralization(Nm)process characteristics and developing a simple and effective approach to evaluate soil Nm are imperative to guide N fertilizer application and enhance its efficiency in various paddy soils with different physicochemical properties.Soil properties are important driving factors contributing to soil Nm differences and must be considered to achieve effective N management.Nevertheless,discrepancies in Nm capacity and other key influencing factors remain uncertain.To address this knowledge gap,this study collected 52 paddy soil samples from Taihu Lake Basin,China,which possess vastly different physicochemical properties.The samples were subjected to a 112-d submerged anaerobic incubation experiment at a constant temperature to obtain the soil Nm characteristics.Reaction kinetics models,including one-pool exponential model,two-pool exponential model,and effective cumulative temperature model,were employed to compare characteristic differences between Nm potential(Nmp)and short-term accumulated mineralized N(Amn)processes in relation to soil physicochemical properties.Based on these relationships,simplified Nmp prediction methods for paddy soils were established.The results revealed that the Nmp values were 145.18,88.64,and 21.03 mg kg-1 in paddy soils with pH<6.50,6.50≤pH≤7.50,and pH>7.50,respectively.Significantly,short-term Amn at day 14 showed a good correlation(P<0.01)with Nmp(R2=0.94),indicating that the prevailing short-term incubation experiment is an acceptable marker for Nmp.Moreover,Nmp correlated well with the ultraviolet absorbance value at 260 nm based on NaHCO3 extraction(Na260),further streamlining the Nmp estimation method.The incorporation of easily obtainable soil properties,including pH,total N(TN),and the ratio of total organic carbon to TN(C/N),alongside Na260 for Nmp evaluation allowed the multiple regression model,Nmp=58.62×TN-23.18×pH+13.08×C/N+86.96×Na260,to achieve a high prediction accuracy(R2=0.95).The reliability of this prediction was further validated with published data of paddy soils in the same region and other rice regions,demonstrating the regional applicability and prospects of this model.This study underscored the roles of soil properties in Nm characteristics and mechanisms and established a site-specific prediction model based on rapid extractions and edaphic properties of paddy soils,paving the way for developing rapid and precise Nm prediction models. 展开更多
关键词 accumulated mineralized nitrogen anaerobic incubation multiple regression prediction model nitrogen mineralization potential reaction kinetics models regional applicability site-specific prediction model
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Predicting the Yield Loss of Winter Wheat Due to Drought in the Llano Estacado Region of the United States Based on the Cultivar-Specific Sensitivity to Drought
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作者 Prem Woli Gerald R. Smith +1 位作者 Charles R. Long Francis M. Rouquette Jr. 《Agricultural Sciences》 2025年第1期13-30,共18页
In most agricultural areas in the semi-arid region of the southern United States, wheat (Triticum aestivum L.) production is a primary economic activity. This region is drought-prone and projected to have a drier clim... In most agricultural areas in the semi-arid region of the southern United States, wheat (Triticum aestivum L.) production is a primary economic activity. This region is drought-prone and projected to have a drier climate in the future. Predicting the yield loss due to an anticipated drought is crucial for wheat growers. A reliable way for predicting the drought-induced yield loss is to use a plant physiology-based drought index, such as Agricultural Reference Index for Drought (ARID). Since different wheat cultivars exhibit varying levels of sensitivity to water stress, the impact of drought could be different on the cultivars belonging to different drought sensitivity groups. The objective of this study was to develop the cultivar drought sensitivity (CDS) group-specific, ARID-based models for predicting the drought-induced yield loss of winter wheat in the Llano Estacado region in the southern United States by accounting for the phenological phase-specific sensitivity to drought. For the study, the historical (1947-2021) winter wheat grain yield and daily weather data of two locations in the region (Bushland, TX and Clovis, NM) were used. The logical values of the drought sensitivity parameters of the yield models, especially for the moderately-sensitive and highly-sensitive CDS groups, indicated that the yield models reflected the phenomenon of water stress decreasing the winter wheat yields in this region satisfactorily. The reasonable values of the Nash-Sutcliffe Index (0.65 and 0.72), the Willmott Index (0.88 and 0.92), and the percentage error (23 and 22) for the moderately-sensitive and highly-sensitive CDS groups, respectively, indicated that the yield models for these groups performed reasonably well. These models could be useful for predicting the drought-induced yield losses and scheduling irrigation allocation based on the phenological phase-specific drought sensitivity as influenced by cultivar genotype. 展开更多
关键词 ARID CULTIVAR DROUGHT Model Phase Prediction SEMI-ARID Stage Wheat Yield
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Enhancing Environmental Sustainability through Machine Learning:Predicting Drug Solubility(LogS)for Ecotoxicity Assessment and Green Pharmaceutical Design
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作者 Imane Aitouhanni Amine Berqia +2 位作者 Redouane Kaiss Habiba Bouijij Yassine Mouniane 《Journal of Environmental & Earth Sciences》 2025年第4期82-95,共14页
Pharmaceutical pollution is becoming an increasing threat to aquatic environments since inactive compounds do not break down,and the drug products are accumulated in living organisms.The ability of a drug to dissolve ... Pharmaceutical pollution is becoming an increasing threat to aquatic environments since inactive compounds do not break down,and the drug products are accumulated in living organisms.The ability of a drug to dissolve in water(i.e.,LogS)is an important parameter for assessing a drug’s environmental fate,biovailability,and toxicity.LogS is typically measured in a laboratory setting,which can be costly and time-consuming,and does not provide the opportunity to conduct large-scale analyses.This research develops and evaluates machine learning models that can produce LogS estimates and may improve the environmental risk assessments of toxic pharmaceutical pollutants.We used a dataset from the ChEMBL database that contained 8832 molecular compounds.Various data preprocessing and cleaning techniques were applied(i.e.,removing the missing values),we then recorded chemical properties by normalizing and,even,using some feature selection techniques.We evaluated logS with a total of several machine learning and deep learning models,including;linear regression,random forests(RF),support vector machines(SVM),gradient boosting(GBM),and artificial neural networks(ANNs).We assessed model performance using a series of metrics,including root mean square error(RMSE)and mean absolute error(MAE),as well as the coefficient of determination(R^(2)).The findings show that the Least Angle Regression(LAR)model performed the best with an R^(2) value close to 1.0000,confirming high predictive accuracy.The OMP model performed well with good accuracy(R^(2)=0.8727)while remaining computationally cheap,while other models(e.g.,neural networks,random forests)performed well but were too computationally expensive.Finally,to assess the robustness of the results,an error analysis indicated that residuals were evenly distributed around zero,confirming the results from the LAR model.The current research illustrates the potential of AI in anticipating drug solubility,providing support for green pharmaceutical design and environmental risk assessment.Future work should extend predictions to include degradation and toxicity to enhance predictive power and applicability. 展开更多
关键词 SOLUBILITY Prediction Machine Learning ECOTOXICITY LOGS
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Development and validation of a nomogram model for predicting overall survival in patients with gastric carcinoma
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作者 Guan-Zhong Liang Xiao-Sheng Li +4 位作者 Zu-Hai Hu Qian-Jie Xu Fang Wu Xiang-Lin Wu Hai-Ke Lei 《World Journal of Gastrointestinal Oncology》 2025年第2期132-143,共12页
BACKGROUND The prevalence and mortality rates of gastric carcinoma are disproportionately elevated in China,with the disease's intricate and varied characteristics further amplifying its health impact.Precise fore... BACKGROUND The prevalence and mortality rates of gastric carcinoma are disproportionately elevated in China,with the disease's intricate and varied characteristics further amplifying its health impact.Precise forecasting of overall survival(OS)is of paramount importance for the clinical management of individuals afflicted with this malignancy.AIM To develop and validate a nomogram model that provides precise gastric cancer prevention and treatment guidance and more accurate survival outcome prediction for patients with gastric carcinoma.METHODS Data analysis was conducted on samples collected from hospitalized gastric cancer patients between 2018 and 2020.Least absolute shrinkage and selection operator,univariate,and multivariate Cox regression analyses were employed to identify independent prognostic factors.A nomogram model was developed to predict gastric cancer patient outcomes.The model's predictability and discriminative ability were evaluated via receiver operating characteristic curves.To evaluate the clinical utility of the model,Kaplan-Meier and decision curve analyses were performed.RESULTS A total of ten independent prognostic factors were identified,including body mass index,tumor-node-metastasis(TNM)stage,radiation,chemotherapy,surgery,albumin,globulin,neutrophil count,lactate dehydrogenase,and platelet-to-lymphocyte ratio.The area under the curve(AUC)values for the 1-,3-,and 5-year survival prediction in the training set were 0.843,0.850,and 0.821,respectively.The AUC values were 0.864,0.820,and 0.786 for the 1-,3-,and 5-year survival prediction in the validation set,respectively.The model exhibited strong discriminative ability,with both the time AUC and time C-index exceeding 0.75.Compared with TNM staging,the model demonstrated superior clinical utility.Ultimately,a nomogram was developed via a web-based interface.CONCLUSION This study established and validated a novel nomogram model for predicting the OS of gastric cancer patients,which demonstrated strong predictive ability.Based on these findings,this model can aid clinicians in implementing personalized interventions for patients with gastric cancer. 展开更多
关键词 Gastric carcinoma PREDICTION Overall survival NOMOGRAM PROSPECTIVE
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Thyroid hormone,immunoglobin and complements for predicting hepatocellular carcinoma development in patients with hepatitis B virus-related liver cirrhosis
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作者 Xue-Cheng Tong Kai Liu +2 位作者 Ze-Yu Huang Xiu-Jun Zhang Yuan Xue 《World Journal of Hepatology》 2025年第2期130-139,共10页
BACKGROUND Hepatocellular carcinoma(HCC)surveillance is crucial for patients with compensated cirrhosis(CC)and decompensated cirrhosis(DC).Increasing evidence has revealed a connection between thyroid hormone(TH)and H... BACKGROUND Hepatocellular carcinoma(HCC)surveillance is crucial for patients with compensated cirrhosis(CC)and decompensated cirrhosis(DC).Increasing evidence has revealed a connection between thyroid hormone(TH)and HCC,although this relationship remains contentious.Complements and immunoglobulin(Ig),which serve as surrogates of cirrhosis-associated immune dysfunc-tion,are associated with the severity and outcomes of liver cirrhosis(LC).To date,there is a lack of evidence supporting the recommendation of TH,Ig,and com-plement tests in patients at high risk of HCC.AIM To assess the predictive value of TH,Ig,and complements for HCC development.METHODS Data from 142 patients,comprising 72 patients with CC and 70 patients with DC,were analysed as a training set.Among them,100 patients who underwent complement and Ig tests were considered for internal validation.Logistic regression was employed to identify independent risk factors for HCC development.RESULTS The median follow-up duration was 32(24-37 months)months.The incidence of HCC was significantly higher in the DC group(16/70,22.9%)compared to the CC group(3/72,4.2%)(χ^(2)=10.698,P<0.01).Patients with DC exhibited lower total tetraiodothyronine(TT4),total triiodothyronine(TT3),free triiodothyronine,complement C3,and C4(all P<0.01),and higher IgA and IgG(both P<0.01).In both CC and DC patients,TT3 and TT4 positively correlated with alanine transaminase(ALT),aspartate transaminase(AST),and gamma-glutamyl transpeptidase(GGT).IgG positively correlated with IgM,IgA,ALT,and AST,while it negatively correlated with C3 and C4.Multivariable analysis indicated that age,DC status,and GGT were independent risk factors for HCC development.CONCLUSION The predictive value of TH,Ig,and complements for HCC development is suboptimal.Age,DC,and GGT emerge as more significant factors during HCC surveillance in hepatitis B virus-related LC. 展开更多
关键词 Thyroid hormone IMMUNOGLOBULIN COMPLEMENT Hepatocellular carcinoma Prediction
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Development and validation of a nomogram for predicting postoperative venous thromboembolism risk in patients with hepatocellular carcinoma
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作者 Chun-Rong Chen Hong-Liang Jin +4 位作者 Qian-Jie Xu Yu-Liang Yuan Zu-Hai Hu Ya Liu Hai-Ke Lei 《World Journal of Gastrointestinal Oncology》 2025年第6期213-222,共10页
BACKGROUND Few studies have specifically modeled the risk of venous thromboembolism(VTE)for postoperative hepatocellular carcinoma(HCC)patients,although HCC is the third leading cause of cancer death worldwide.This st... BACKGROUND Few studies have specifically modeled the risk of venous thromboembolism(VTE)for postoperative hepatocellular carcinoma(HCC)patients,although HCC is the third leading cause of cancer death worldwide.This study aimed to develop and validate a nomogram that accurately predicts the risk of VTE in patients after HCC surgery.AIM To develop and validate a nomogram to accurately predict the risk of VTE in postoperative HCC patients by integrating clinical and laboratory risk factors.The model seeks to provide a user-friendly tool for identifying high-risk individuals who may benefit from targeted anticoagulation therapy,thereby improving clinical decision-making and patient outcomes.METHODS Data from patients who underwent HCC surgery at Chongqing University Cancer Hospital in China were analyzed.Through univariate and multivariate logistic regression analyses,independent risk factors for VTE were identified and integrated into a nomogram.The predictive performance of the nomogram was assessed via receiver operating characteristic curves,calibration curves,decision curve analysis and other relevant metrics.RESULTS Of 905 postoperative HCC patients were included in the study.The nomogram incorporated eight independent risk factors for VTE:Karnofsky Performance Scale,base disease,cancer stage(tumor-node-metastasis),chemotherapy,D-dimer concentration,white blood cell count,hemoglobin,and fibrinogen.The C-index for the nomogram model was 0.825 in the training cohort and 0.820 in the validation cohort,indicating good discriminative ability.Calibration plots of the model revealed high concordance between the predicted probabilities and observed outcomes.CONCLUSION We developed and validated a novel nomogram that can accurately estimate the risk of VTE in individual postoperative HCC patients.This model can identify high-risk patients who may benefit from targeted anticoagulation therapy. 展开更多
关键词 Venous thromboembolism Hepatocellular carcinoma POSTOPERATIVE NOMOGRAM Prediction model
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SMOTE-Optimized Machine Learning Framework for Predicting Retention in Workforce Development Training
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作者 Abdulaziz Alshahrani 《Computers, Materials & Continua》 2025年第11期4067-4090,共24页
High dropout rates in short-term job skills training programs hinder workforce development.This study applies machine learning to predict program completion while addressing class imbalance challenges.A dataset of6548... High dropout rates in short-term job skills training programs hinder workforce development.This study applies machine learning to predict program completion while addressing class imbalance challenges.A dataset of6548 records with 24 demographic,educational,program-specific,and employment-related features was analyzed.Data preprocessing involved cleaning,encoding categorical variables,and balancing the dataset using the Synthetic Minority Oversampling Technique(SMOTE),as only 15.9% of participants were dropouts.six machine learning models-Logistic Regression,Random Forest,SupportVector Machine,K-Nearest Neighbors,Naive Bayes,and XGBoost-were evaluated on both balanced and unbalanced datasets using an 80-20 train-test split.Performance was assessed using Accuracy,Precision,Recall,F1-score,and ROC-AUC.XGBoost achieved the highest performance on the balanced dataset,with an F1-score of 0.9200 and aROC-AUC of0.9684,followed by Random Forest.These findings highlight the potential of machine learning for early identification of dropout trainees,aiding in retention strategies for workforce training.The results support the integration of predictive analytics to optimize intervention efforts in short-term training programs. 展开更多
关键词 Predictive analytics workforce training machine learning SMOTE
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Predicting weaning failure from invasive mechanical ventilation:The promise and pitfalls of clinical prediction scores
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作者 Maneesh Gaddam Dedeepya Gullapalli +2 位作者 Zayaan A Adrish Arnav Y Reddy Muhammad Adrish 《World Journal of Critical Care Medicine》 2025年第3期138-146,共9页
Prediction of weaning success from invasive mechanical ventilation remains a challenge in everyday clinical practice.Several prediction scores have been developed to guide success during spontaneous breathing trials t... Prediction of weaning success from invasive mechanical ventilation remains a challenge in everyday clinical practice.Several prediction scores have been developed to guide success during spontaneous breathing trials to help with weaning decisions.These scores aim to provide a structured framework to support clinical judgment.However,their effectiveness varies across patient populations,and their predictive accuracy remains inconsistent.In this review,we aim to identify the strengths and limitations of commonly used clinical prediction tools in assessing readiness for ventilator liberation.While scores such as the Rapid Shallow Breathing Index and the Integrative Weaning Index are widely adopted,their sensitivity and specificity often fall short in complex clinical settings.Factors such as underlying disease pathophysiology,patient characteristics,and clinician subjectivity impact score performance and reliability.Moreover,disparities in validation across diverse populations limit generalizability.With growing interest in artificial intelligence(AI)and machine learning,there is potential for enhanced prediction models that integrate multidimensional data and adapt to individual patient profiles.However,current AI approaches face challenges related to interpretability,bias,and ethical implementation.This paper underscores the need for more robust,individualized,and transparent prediction systems and advocates for careful integration of emerging technologies into clinical workflows to optimize weaning success and patient outcomes. 展开更多
关键词 Mechanical ventilation WEANING Prediction models Artificial intelligence Respiratory failure
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Longitudinal variability of CT imaging features for predicting pulmonary nodule invasiveness:A multicenter study
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作者 Jing Lu Ci Song +10 位作者 Hai Xu Jingyi Fan Kefu Liu Jie Chen Junjie Kong Wen Guo Xinyuan Ge Jiahao Zhang Hongxia Ma Qun Zhang Hongbing Shen 《Chinese Journal of Cancer Research》 2025年第5期781-795,共15页
Objective:This study aimed to construct a model that predicts invasive lung cancer using longitudinal radiological features from multiple low-dose computed tomography(LDCT)scans,thereby addressing overdiagnosis in lun... Objective:This study aimed to construct a model that predicts invasive lung cancer using longitudinal radiological features from multiple low-dose computed tomography(LDCT)scans,thereby addressing overdiagnosis in lung cancer screening.Methods:In this retrospective study,628 patients with pulmonary nodules who underwent three LDCT scans followed by surgical resection were categorized into invasive carcinoma(n=155)and non-invasive nodule(n=473)groups on the basis of pathological diagnosis.This derivation aimed to identify risk factors and construct a multivariate logistic model.The predictive performance was externally validated in two independent cohorts(retrospectively designed,n=252;prospectively designed,n=269).The discrimination and calibration of the model were evaluated using area under the curve(AUC),and calibration plots.Decision curve analysis(DCA)was further performed to evaluate the net benefit in practical clinical scenarios.Results:The model,termed multiple CTs-invasive lung cancer(MCT-ILC),incorporated eleven factors encompassing nodule features at baseline and feature variability during follow-up.The standard deviation of diameter variability(SD_(diameter))was the most reliable predictor,with an odds ratio[95% confidence interval(95%CI)of 7.35(5.32-10.16)(P<0.001)].AUCs with 95% CIs for the MCT-ILC model were 0.912(0.864-0.960)and 0.906(0.833-0.979)in the two testing cohorts and were superior to those for the model containing only features at baseline(PD_(elong)=0.002 and 0.021,respectively).For calibration,the Brier scores of the MCT-ILC model were0.091(95% CI:0.064-0.118) and 0.078(95% CI:0.055-0.101)in the two test sets.The decision curve image showed that the MCT-ILC model was the only model that maintained positive net benefits across the entire threshold range.Furthermore,the MCT-ILC model score could classify more than 90% of patients with invasive nodules into the high-risk group.Conclusions:The MCT-ILC model could assess pulmonary nodule invasiveness,potentially mitigating overdiagnosis in lung cancer screening. 展开更多
关键词 Pulmonary nodule lung cancer computed tomography FOLLOW-UP prediction model
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