相关论文: LLMs for Drug-Drug Interaction Prediction: A Compr…

Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and…

Large language models (LLMs) can be used to analyze cyber threat intelligence (CTI) data from cybercrime forums, which contain extensive information and key discussions about emerging cyber threats. However, to date, the level of accuracy…

Large Language Models (LLMs) can aid synthesis planning in chemistry, but standard prompting methods often yield hallucinated or outdated suggestions. We study LLM interactions with a reaction knowledge graph by casting reaction path…

In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning…

Drug-drug interaction (DDI) identification is a crucial aspect of pharmacology research. There are many DDI types (hundreds), and they are not evenly distributed with equal chance to occur. Some of the rarely occurred DDI types are often…

Large Language Models (LLMs) have demonstrated tremendous potential as the next-generation ranking-based recommendation system. Many recent works have shown that LLMs can significantly outperform conventional click-through-rate (CTR)…

Large language models ($\textbf{LLMs}$) have emerged as a powerful method for discovery. Instead of utilizing numerical data, LLMs utilize associated variable $\textit{semantic metadata}$ to predict variable relationships. Simultaneously,…

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…

A drug molecule is a substance that changes the organism's mental or physical state. Every approved drug has an indication, which refers to the therapeutic use of that drug for treating a particular medical condition. While the Large…

The recent breakthroughs in large language models (LLMs) are positioned to transition many areas of software. The technologies of interacting with data particularly have an important entanglement with LLMs as efficient and intuitive data…

Drug combinations can cause adverse drug-drug interactions(DDIs). Identifying specific effects is crucial for developing safer therapies. Previous works on DDI event prediction have typically been limited to using labels of specific events…

Two scientific fields showing increasing interest in pre-trained large language models (LLMs) are drug development / repurposing, and personalized medicine. For both, LLMs have to demonstrate factual knowledge as well as a deep…

In recent years, large language models (LLMs) have been extensively utilized for behavioral modeling, for example, to automatically generate sequence diagrams. However, no overview of this work has been published yet. Such an overview will…

Background: Large language models (LLMs) such as OpenAI's GPT-4 or Google's PaLM 2 are proposed as viable diagnostic support tools or even spoken of as replacements for "curbside consults". However, even LLMs specifically trained on medical…

Over the past decade, wearable computing devices (``smart glasses'') have undergone remarkable advancements in sensor technology, design, and processing power, ushering in a new era of opportunity for high-density human behavior data.…

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

We show that large language model (LLMs) can be transformed via supervised fine-tuning (SFT) of engineered prompts into SmileyLlama for exploring the chemical space of drug molecules. We benchmark SmileyLlama against pre-trained LLMs and…

Accurate and robust prediction of drug-target interactions (DTIs) plays a vital role in drug discovery. Despite extensive efforts have been invested in predicting novel DTIs, existing approaches still suffer from insufficient labeled data…

Clinical decision support systems require models that are not only highly accurate but also equitable and sensitive to the implications of missed diagnoses. In this study, we introduce a knowledge-guided in-context learning (ICL) framework…