相关论文: FRnet-DTI: Deep Convolutional Neural Networks with…

Drug-target interaction (DTI) prediction, which aims at predicting whether a drug will be bounded to a target, have received wide attention recently, with the goal to automate and accelerate the costly process of drug design. Most of the…

Characterizing interactions between drugs is important to avoid potentially harmful combinations, to reduce off-target effects of treatments and to fight antibiotic resistant pathogens, among others. Here we present a network inference…

Background: Drug-drug interactions (DDIs) refer to processes triggered by the administration of two or more drugs leading to side effects beyond those observed when drugs are administered by themselves. Due to the massive number of possible…

Predicting whether two drugs interact (binary detection) is a substantially dif- ferent task from predicting the mechanism type of that interaction (multi-class classification). This study presents a systematic ablation study of three Graph…

Motivation: Combination therapies have been widely used to treat cancers. However, it is cost- and time-consuming to experimentally screen synergistic drug pairs due to the enormous number of possible drug combinations. Thus, computational…

Accurate prediction of drug-target binding affinity can accelerate drug discovery by prioritizing promising compounds before costly wet-lab screening. While deep learning has advanced this task, most models fuse ligand and protein…

We describe the accurate prediction of ligand-protein interaction (LPI) affinities, also known as drug-target interactions (DTI), with instruction fine-tuned pretrained generative small language models (SLMs). We achieved accurate…

Deep Neural Network (DNN) has recently achieved outstanding performance in a variety of computer vision tasks, including facial attribute classification. The great success of classifying facial attributes with DNN often relies on a massive…

Preventable adverse drug reactions as a result of medical errors present a growing concern in modern medicine. As drug-drug interactions (DDIs) may cause adverse reactions, being able to extracting DDIs from drug labels into…

Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patient care and contribute to efficient drug development.…

Magnetic resonance diffusion tensor imaging (DTI) is a critical tool for neural disease diagnosis. However, long scan time greatly hinders the widespread clinical use of DTI. To accelerate image acquisition, a feature-enhanced joint…

While deep learning has seen many recent applications to drug discovery, most have focused on predicting activity or toxicity directly from chemical structure. Phenotypic changes exhibited in cellular images are also indications of the…

The identification of drug-target interactions (DTI) is critical for drug discovery and repositioning, as it reveals potential therapeutic uses of existing drugs, accelerating development and reducing costs. However, most existing models…

Neural-based multi-task learning (MTL) has been successfully applied to many recommendation applications. However, these MTL models (e.g., MMoE, PLE) did not consider feature interaction during the optimization, which is crucial for…

Drug membrane interaction is a very significant bioprocess to consider in drug discovery. Here, we propose a novel deep learning framework coined DMInet to study drug-membrane interactions that leverages large-scale Martini coarse-grained…

As an important modeling paradigm in click-through rate (CTR) prediction, the Deep & Cross Network (DCN) and its derivative models have gained widespread recognition primarily due to their success in a trade-off between computational cost…

Autonomous driving demands accurate perception and safe decision-making. To achieve this, automated vehicles are now equipped with multiple sensors (e.g., camera, Lidar, etc.), enabling them to exploit complementary environmental context by…

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging…

Background: In silico drug-target interaction (DTI) prediction plays an integral role in drug repositioning: the discovery of new uses for existing drugs. One popular method of drug repositioning is network-based DTI prediction, which uses…

Diffusion tensor imaging (DTI) holds significant importance in clinical diagnosis and neuroscience research. However, conventional model-based fitting methods often suffer from sensitivity to noise, leading to decreased accuracy in…