相关论文: Towards Unified AI Drug Discovery with Multiple Kn…

Physiologically Based Pharmacokinetic (PBPK) modeling is a cornerstone of model-informed drug development (MIDD), providing a mechanistic framework to predict drug absorption, distribution, metabolism, and excretion (ADME). Despite its…

Multimodal learning typically relies on the assumption that all modalities are fully available during both the training and inference phases. However, in real-world scenarios, consistently acquiring complete multimodal data presents…

Multi-modal pre-training and knowledge discovery are two important research topics in multi-modal machine learning. Nevertheless, none of existing works make attempts to link knowledge discovery with knowledge guided multi-modal…

Trustworthiness and transparency are essential for the clinical adoption of artificial intelligence (AI) in healthcare and biomedical research. Recent deep research systems aim to accelerate evidence-grounded scientific discovery by…

Artificial intelligence (AI) is increasingly used in every stage of drug development. One challenge facing drug discovery AI is that drug pharmacokinetic (PK) datasets are often collected independently from each other, often with limited…

Multimodal learning has increasingly become a focal point in research, primarily due to its ability to integrate complementary information from diverse modalities. Nevertheless, modality imbalance, stemming from factors such as insufficient…

Multimodal AI has demonstrated superior performance over unimodal approaches by leveraging diverse data sources for more comprehensive analysis. However, applying this effectiveness in healthcare is challenging due to the limited…

In multi-modal learning, some modalities are more influential than others, and their absence can have a significant impact on classification/segmentation accuracy. Addressing this challenge, we propose a novel approach called Meta-learned…

Computer-Aided Drug Discovery research has proven to be a promising direction in drug discovery. In recent years, Deep Learning approaches have been applied to problems in the domain such as Drug-Target Interaction Prediction and have shown…

The versatility of multimodal deep learning holds tremendous promise for advancing scientific research and practical applications. As this field continues to evolve, the collective power of cross-modal analysis promises to drive…

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

AI methods are increasingly shaping pharmaceutical drug discovery. However, their translation to industrial applications remains limited due to their reliance on public datasets, lacking scale and diversity of proprietary pharmaceutical…

Drug repurposing is an effective strategy to identify new uses for existing drugs, providing the quickest possible transition from bench to bedside. Existing methods for drug repurposing that mainly focus on pre-clinical information may…

Deep learning-based methods have achieved encouraging performances in the field of magnetic resonance (MR) image reconstruction. Nevertheless, to properly learn a powerful and robust model, these methods generally require large quantities…

Knowledge Tracing is the process of tracking mastery level of different skills of students for a given learning domain. It is one of the key components for building adaptive learning systems and has been investigated for decades. In…

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

To generate accurate and reliable predictions, modern AI systems need to combine data from multiple modalities, such as text, images, audio, spreadsheets, and time series. Multi-modal data introduces new opportunities and challenges for…

Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing major challenges.…

The de novo design of molecular structures using deep learning generative models introduces an encouraging solution to drug discovery in the face of the continuously increased cost of new drug development. From the generation of original…

Multimodal deep learning (MDL) has emerged as a transformative approach in computational pathology. By integrating complementary information from multiple data sources, MDL models have demonstrated superior predictive performance across…