BACKGROUND: Multi-drug combinations represent an effective strategy for treating complex diseases. However, due to the vast number of unknown interactions among drugs, accurately predicting drug-drug interactions (DDIs) is essential for preventing ad...
BACKGROUND: Drug-drug interactions (DDIs) frequently occur in combination therapy and may cause adverse effects or reduced efficacy. Existing computational approaches often fail to capture both the semantic information in drug sequences and the struc...
The fundamental issue with drug-drug interactions (DDIs) is that they cannot be ignored or overlooked since negative drug reactions and the use of medical services as a result are detrimental to patients and increase healthcare expenses. Conventional...
Adverse drug events represent a key challenge in public health, especially concerning drug safety profiling and drug surveillance. Drug-drug interactions represent one of the most popular types of adverse drug events. Most computational approaches to...
BACKGROUND: Drug-drug interactions (DDIs) are a major concern, especially for older adults taking multiple medications. Although Health Canada and the US Food and Drug Administration (FDA) use population-based studies to identify adverse drug events,...
Journal of chemical information and modeling
Sep 3, 2025
Drug-drug interactions (DDIs) present a significant challenge in clinical practice, as they may lead to adverse reactions, diminished therapeutic efficacy, and serious risks to patient safety. However, most existing methods depend on single-view repr...
With the growing variety of pharmacological compounds and the increasing need for polypharmacy, accurately predicting drug-drug interactions (DDIs) is essential to ensure both treatment efficacy and patient safety. Beneficial DDIs can enhance therape...
Journal of chemical information and modeling
Aug 4, 2025
Drug-drug interactions (DDIs) present significant challenges within clinical pharmacology, as they can impact therapeutic outcomes, especially given the growing prevalence of polypharmacy. Traditional methods for the clinical validation of DDIs typic...
Journal of chemical information and modeling
Jul 26, 2025
Activity cliffs (ACs) are defined as significant changes in biological activity triggered by minor chemical structural modifications. Accurately predicting ACs is crucial for drug discovery and molecular optimization. Existing approaches often overlo...
BACKGROUND: Drug recommendation is a crucial application of artificial intelligence in medical practice. Although many models have been proposed to solve this task, two challenges remain unresolved: (i) most existing models use all historical visits ...
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