相关论文: ToxTree: descriptor-based machine learning models …
Electroencephalography (EEG) serves as an essential diagnostic tool in neurology; however, its accurate manual interpretation is a time-intensive process that demands highly specialized expertise, which remains relatively scarce and not…
Drug-target interaction (DTI) prediction is a core task in drug development and precision medicine in the biomedical field. However, traditional machine learning methods generally have the black box problem, which makes it difficult to…
Rapid determination of molecular structures can greatly accelerate workflows across many chemical disciplines. However, elucidating structure using only one-dimensional (1D) NMR spectra, the most readily accessible data, remains an…
Drug discovery remains a slow and expensive process that involves many steps, from detecting the target structure to obtaining approval from the Food and Drug Administration (FDA), and is often riddled with safety concerns. Accurate…
Cardiovascular Disease (CVD) is an important cause of disability and death among individuals with Diabetes Mellitus (DM). International clinical guidelines for the management of Type 2 DM (T2DM) are founded on primary and secondary…
MiRNAs, due to their role in gene regulation, have paved a new pathway for pharmacology, focusing on drug development that targets miRNAs. However, traditional wet lab experiments are limited by efficiency and cost constraints, making it…
The arc of drug discovery entails a multiparameter optimization problem spanning vast length scales. They key parameters range from solubility (angstroms) to protein-ligand binding (nanometers) to in vivo toxicity (meters). Through feature…
Gene expression can be used to subtype breast cancer with improved prediction of risk of recurrence and treatment responsiveness over that obtained using routine immunohistochemistry (IHC). However, in the clinic, molecular profiling is…
The hydrogen trapping behaviour of metallic alloys is generally characterised using Thermal Desorption Spectroscopy (TDS). However, as an indirect method, extracting key parameters (trap binding energies and densities) remains a significant…
Accurate prediction of cardiovascular disease (CVD) risk is crucial for healthcare institutions. This study addresses the growing prevalence of diabetes and its strong link to heart disease by proposing an efficient CVD risk prediction…
Accurate prediction of drug-target binding affinity accelerates drug discovery by prioritizing compounds for experimental validation. Current methods face three limitations: sequence-based approaches discard spatial geometric constraints,…
In the past several months, COVID-19 has spread over the globe and caused severe damage to the people and the society. In the context of this severe situation, an effective drug discovery method to generate potential drugs is extremely…
Predicting a driver's cognitive state, or more specifically, modeling a driver's reaction time (RT) in response to the appearance of a potential hazard warrants urgent research. In the last two decades, the electric field that is generated…
Dynamic treatment regimes (DTRs) are critical to precision medicine, optimizing long-term outcomes through personalized, real-time decision-making in evolving clinical contexts, but require careful supervision for unsafe treatment risks.…
Heart diseases remain the leading cause of mortality worldwide, implying approximately 18 million deaths according to the WHO. In particular, heart failures (HF) press the healthcare industry to develop systems for their early, rapid, and…
Drug-induced liver injury (DILI) is the most common cause of acute liver failure and a frequent reason for withdrawal of candidate drugs during preclinical and clinical testing. An important type of DILI is cholestatic liver injury, caused…
This paper describes our system for SemEval-2021 Task 5 on Toxic Spans Detection. We developed ensemble models using BERT-based neural architectures and post-processing to combine tokens into spans. We evaluated several pre-trained language…
An electrocardiogram (ECG) monitors the electrical activity generated by the heart and is used to detect fatal cardiovascular diseases (CVDs). Conventionally, to capture the precise electrical activity, clinical experts use multiple-lead…
Gambling disorder is a complex behavioral addiction that is challenging to understand and address, with severe physical, psychological, and social consequences. Early Risk Detection (ERD) on the Web has become a key task in the scientific…
Clinical risk stratification for sudden cardiac death (SCD) in hypertrophic cardiomyopathy (HC) employs rules derived from American College of Cardiology Foundation/American Heart Association (ACCF/AHA) guidelines or the HCM Risk-SCD model…