Molecular docking is an important method for the research of protein-protein interaction and recognition. A protein can be considered as a network when the residues are treated as its nodes. With the contact energy between residues as link weight, a...
Existing Bayesian network-based differential privacy algorithms predominantly employ uniform privacy budget allocation. However, since attribute nodes carry heterogeneous information loads, the traditional privacy budget allocation strategy may resul...
Over the past two decades, pharmaceutical peptides have emerged as a powerful alternative to traditional small molecules, offering high potency, specificity, and low toxicity. However, most computational drug discovery tools remain optimized for smal...
Carbonic anhydrase II (CAII) is a zinc-containing metalloenzyme whose aberrant activity is associated with various diseases such as glaucoma, osteoporosis, and different types of tumors; therefore, the development of CAII inhibitors, which can repres...
Protein-protein docking (PPD) predictions usually rely on the use of a scoring function to rank docking models generated by exhaustive sampling. To rank good models higher than bad ones, a large number of scoring functions have been developed and eva...
Motivation: Bringing a new drug to the market is expensive and time-consuming. To cut the costs and time, computer-aided drug design (CADD) approaches have been increasingly included in the drug discovery pipeline. However, despite traditional dockin...
This article focused on transportation sustainability during the COVID-19 pandemic situation under the Fermatean fuzzy environment. In both developed and developing nations, sustainability has risen to the top of the priority list for transportation...
Leveraging machine learning has been shown to improve the accuracy of structure-based virtual screening. Furthermore, a tremendous amount of empirical data is publicly available, which further enhances the performance of the machine learning approach...
In multiple attribute decision-making in an intuitionistic fuzzy environment, the decision information is sometimes given by intuitionistic fuzzy soft sets. In order to address intuitionistic fuzzy decision-making problems in a more efficient way, ma...
Protein–protein interactions play a ubiquitous role in biological function. Knowledge of the three-dimensional (3D) structures of the complexes they form is essential for understanding the structural basis of those interactions and how they orc...
Scoring functions (SFs) are ubiquitous tools for early stage drug discovery. However, their accuracy currently remains quite moderate. Despite a number of successful target-specific SFs appearing recently, up until now, no ideas on how to systematica...
RNA–protein complexes play a crucial role in cellular functions, providing insights into cellular mechanisms and potential therapeutic targets. However, experimental determination of these complex structures is often time-consuming and resource...
Background and Objectives: Endovascular treatment (EVT) has been shown to enhance long-term recovery and lower mortality rates in patients with intracranial large vessel occlusion-associated acute ischemic strokes (AISs).We aimed to evaluate the pred...
In recent years, machine learning has been proposed as a promising strategy to build accurate scoring functions for computational docking finalized to numerically empowered drug discovery. However, the latest studies have suggested that over-optimist...
Scoring functions are key elements in docking protocols as they approximate the binding affinity of a ligand (usually a small bioactive molecule) by calculating its interaction energy with a biomacromolecule (usually a protein). In this study, we pre...
Background/Objectives: Several imaging scores have been developed for subarachnoid hemorrhage (SAH), but their prognostic performance for long-term functional outcome and post-hospital complications remains insufficiently characterized. We evaluated...
Purpose: Floating knee (FK) injuries are complex high-energy traumas associated with poor functional outcomes. This study aimed to identify independent predictors of functional prognosis and to develop a novel, multidimensional scoring system to pred...
The relationship between skeletal muscle and cognitive disorders has drawn increasing attention. This study aims to examine the associations of sarcopenia with cognitive function and dementia risk score. Data on 1978 participants (aged 65 years and o...
Introduction: The assessment of bowel function in patients with Hirschsprung disease (HD) remains controversial, as several different bowel function scores are used in the literature and are therefore not suitable for reliable comparison. Conference...
(1) Background: In silico approaches to rational drug design are among the fastest evolving ones. Depending on the available structural information for the biomacromolecule and the small molecule, the in silico methods are classified as ligand- and s...
Osteoporosis is a common disease, and the prevalence is increasing in patients with chronic respiratory diseases, with important implications with regard to fractures, hospitalization, and death. Due to inconsistent data and a lack of large cohort fo...
Road traffic injuries are a serious concern in emerging economies. Their death toll and economic impact are shocking, with 9 out of 10 deaths occurring in low or middle-income countries; and road traffic crashes representing 3% of their gross domesti...
Overfitting remains a critical challenge in data-driven financial modelling, where machine learning (ML) systems learn spurious patterns in historical prices and fail out of sample and in deployment. This paper introduces the GT-Score, a composite ob...
It has recently been claimed that the outstanding performance of machine-learning scoring functions (SFs) is exclusively due to the presence of training complexes with highly similar proteins to those in the test set. Here, we revisit this question u...
Background/Objectives: Volleyball is one of the most common sports that require dynamic movements. Back pain is one of the most prevalent medical conditions. The Functional Movement Screen (FMS) is used to analyze motor skills, assess movement qualit...
Alzheimer’s disease (AD) is an irreversible progressive cerebral disease with most of its symptoms appearing after 60 years of age. Alzheimer’s disease has been largely attributed to accumulation of amyloid beta (Aβ), but a complete...
Due to the recent financial crisis and European debt crisis, credit risk evaluation has become an increasingly important issue for financial institutions. Reliable credit scoring models are crucial for commercial banks to evaluate the financial perfo...
Object: To investigate those parameters affecting early and follow-up functional outcomes in patients undergoing resection of meningiomas and to design a dedicated predictive score, the Milan Bio(metric)-Surgical Score (MBSS) is hereby presented. Met...
ATP is involved in numerous biochemical reactions in living cells interacting withdifferent proteins. Molecular docking simulations provide considerable insight into theproblem of molecular recognition of this substrate. To improve the selection of c...
The aim of this work is to establish a new methodology to tackle the multi-objective transportation problems [MOTP] in a Fermatean fuzzy environment that can deal with all the parameters that possess a conflicting nature. In our research work, we dev...
The failure mode and effect analysis (FMEA), as an effective proactive reliability analysis technique, plays an important role in system fault detection and reliability maintenance due to its pre-analysis capability. Although traditional FMEA is wide...
26 March 2026
We devised a quantitative scoring function to assess the cumulative effects of somatic nonsynonymous single-nucleotide variants (SNVs) on protein-coding genes in patients with ovarian cancer (OvCa) and thyroid cancer (ThCa). The goal is to find novel...
Intuitionistic linguistic numbers (ILNs) describe expert evaluation information by representing semantic assessment values and reflecting the confidence level and hesitation of decision-makers. ILNs are widely used to handle uncertain and incomplete...
Food additives recur in combinations across packaged foods, but their association with nutritional quality is uncertain. We identified latent profiles of Codex-mapped functional classes from label-declared additives in a sampled Turkish retail invent...
Background: This study aims to investigate the value of a SYNTAX score (SS) based on coronary computed tomographic angiography (cCTA)-derived fractional flow reserve (CT-FFR), termed “Functional SYNTAX score” (FSSCTA), to predict major ad...
Purpose: This study aimed to compare functional and oncological outcomes between partial nephrectomy (PN) and radiofrequency ablation (RFA) for a small renal mass (SRM, ≤4 cm) in patients with chronic kidney disease (CKD). Materials and Methods: P...
In this study, ten questions measuring distributive justice on classical Likert and neutrosophic Likert scales consisting of two subdimensions—distributive and procedural justice—were used. Participants responded to the same questions for...
Water plays a significant role in the binding process between protein and ligand. However, the thermodynamics of water molecules are often underestimated, or even ignored, in protein-ligand docking. Usually, the free energies of active-site water mol...
Although student teachers often report low confidence in writing assessments, empirical evidence regarding the behavioral and cognitive mechanisms affecting their evaluative judgments remains limited. This study investigated the evaluative behavior o...
Background and Objectives: Donor acute kidney injury (AKI) is increasingly recognized in deceased-donor kidney transplantation, but its association with long-term graft outcomes remains controversial. We examined the association between donor AKI and...
Autoimmune encephalitis (AE) is a neurological emergency. We aimed to analyze the application and effectiveness of the currently available prediction tools for AE patients in Taiwan. We retrospectively collected 27 AE patients between January 2008 an...
Background/Objectives: Spontaneous intracerebral hemorrhage (ICH) is associated with high mortality and disability. We aimed to identify clinical, laboratory, and imaging factors independently associated with 3-month functional outcome across non-con...
Docking scoring functions can be used to predict the strength of protein-ligand binding. It is widely believed that training a scoring function with low-quality data is detrimental for its predictive performance. Nevertheless, there is a surprising l...
Combinatorial fusion algorithm (CFA) is a machine learning and artificial intelligence (ML/AI) framework for combining multiple scoring systems using the rank-score characteristic (RSC) function and cognitive diversity (CD). When measuring the releva...
In this paper, we have introduced a functional approach for approximating nonparametric functions and coefficients in the presence of multivariate and functional predictors. By utilizing the Fisher scoring algorithm and the cross-validation technique...
Background/Objectives: Anterior cruciate ligament (ACL) reconstruction remains the accepted standard of care for ACL ruptures in physically active individuals. Various surgical techniques have been developed to achieve anatomic reconstruction and opt...
Molecular docking plays a significant role in early-stage drug discovery, from structure-based virtual screening (VS) to hit-to-lead optimization, and its capability and predictive power is critically dependent on the protein–ligand scoring fun...
Exposure to mercury (Hg) and lead (Pb), in combination with liver and kidney impairment, may result in adverse birth outcomes. From 408 women in the age range of 16 to 46 years, living in rural and urban areas in the interior of Suriname, we looked a...
Background: Liver function may be a useful indicator of response to cardiac resynchronization therapy (CRT). We aimed to investigate the clinical significance of albumin-bilirubin (ALBI) score, an assessment tool of liver function, on outcomes in hea...
Background: For years, bone mineral density (BMD) has played a key role in assessing bone health, but the trabecular bone score (TBS) is emerging as an equivalent measure. However, BMD alone may not fully measure bone quality or predict osteoporosis...
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