相关论文: MuCoS: Efficient Drug-Target Prediction through Mu…

Accurate prediction of drug target interactions is critical for accelerating drug discovery and elucidating complex biological mechanisms. In this work, we frame drug target prediction as a link prediction task on heterogeneous biomedical…

Knowledge graph completion (KGC) seeks to predict missing entities (e.g., heads or tails) or relationships in knowledge graphs (KGs), which often contain incomplete data. Traditional embedding-based methods, such as TransE and ComplEx, have…

Drug-drug interactions (DDIs) are a leading cause of preventable adverse events, often complicating treatment and increasing healthcare costs. At the same time, knowing which drugs do not interact is equally important, as such knowledge…

Modeling the interactions between drugs, targets, and diseases is paramount in drug discovery and has significant implications for precision medicine and personalized treatments. Current approaches frequently consider drug-target or…

Extracting meaningful drug-related information chunks, such as adverse drug events (ADE), is crucial for preventing morbidity and saving many lives. Most ADEs are reported via an unstructured conversation with the medical context, so…

Identifying the interaction targets of bioactive compounds is a foundational element for deciphering their pharmacological effects. Target prediction algorithms equip researchers with an effective tool to rapidly scope and explore potential…

Universal Multimodal embedding models built on Multimodal Large Language Models (MLLMs) have traditionally employed contrastive learning, which aligns representations of query-target pairs across different modalities. Yet, despite its…

In remote sensing, it is often challenging to acquire or collect a large dataset that is accurately labeled. This difficulty is usually due to several issues, including but not limited to the study site's spatial area and accessibility,…

Molecule optimization is a fundamental task for accelerating drug discovery, with the goal of generating new valid molecules that maximize multiple drug properties while maintaining similarity to the input molecule. Existing generative…

Computational drug repositioning technology is an effective tool to accelerate drug development. Although this technique has been widely used and successful in recent decades, many existing models still suffer from multiple drawbacks such…

In this paper, we formulate the new multi-objective coverage (MOC) problem where our goal is to identify a small set of representative samples whose predicted outcomes broadly cover the feasible multi-objective space. This problem is of…

Identification of drug-target interactions is an indispensable part of drug discovery. While conventional shallow machine learning and recent deep learning methods based on chemogenomic properties of drugs and target proteins have pushed…

Identifying and discovering drug-target interactions(DTIs) are vital steps in drug discovery and development. They play a crucial role in assisting scientists in finding new drugs and accelerating the drug development process. Recently,…

Adverse drug-drug interactions~(DDIs) can compromise the effectiveness of concurrent drug administration, posing a significant challenge in healthcare. As the development of new drugs continues, the potential for unknown adverse effects…

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…

Recently, deep learning methods have become mainstream in code search since they do better at capturing semantic correlations between code snippets and search queries and have promising performance. However, code snippets have diverse…

Knowledge graphs (KGs), containing many entity-relation-entity triples, provide rich information for downstream applications. Although extracting triples from unstructured texts has been widely explored, most of them require a large number…

To improve low-resource Neural Machine Translation (NMT) with multilingual corpora, training on the most related high-resource language only is often more effective than using all data available (Neubig and Hu, 2018). However, it is…

The drug discovery stage is a vital aspect of the drug development process and forms part of the initial stages of the development pipeline. In recent times, machine learning-based methods are actively being used to model drug-target…

Explainable ML for molecular toxicity prediction is a promising approach for efficient drug development and chemical safety. A predictive ML model of toxicity can reduce experimental cost and time while mitigating ethical concerns by…