IEEE journal of biomedical and health informatics
Dec 1, 2024
Identifying drug-target interactions (DTI) is crucial in drug discovery and repurposing, and in silico techniques for DTI predictions are becoming increasingly important for reducing time and cost. Most interaction-based DTI models rely on the guilt-...
MOTIVATION: Effective molecular representation is critical in drug development. The complex nature of molecules demands comprehensive multi-view representations, considering 1D, 2D, and 3D aspects, to capture diverse perspectives. Obtaining represent...
The process of developing new drugs is widely acknowledged as being time-intensive and requiring substantial financial investment. Despite ongoing efforts to reduce time and expenses in drug development, ensuring medication safety remains an urgent p...
Metabolic processes can transform a drug into metabolites with different properties that may affect its efficacy and safety. Therefore, investigation of the metabolic fate of a drug candidate is of great significance for drug discovery. Computational...
The precise identification of drug-protein inter action (DPI) can significantly speed up the drug discovery process. Bioassay methods are time-consuming and expensive to screen for each pair of drug proteins. Machine-learning-based methods cannot acc...
Accurate prediction of a new compound's pharmacokinetic (PK) profile is pivotal for the success of drug discovery programs. An initial assessment of PK in preclinical species and humans is typically performed through allometric scaling and mathematic...
Studies in health technology and informatics
Mar 1, 2024
The health product circuit corresponds to the chain of steps that a medicine goes through in hospital, from prescription to administration. The safety and regulation of all the stages of this circuit are major issues to ensure the safety and protect ...
INTRODUCTION: Active pharmaceutical ingredients (APIs) have gained direct pharmaceutical interest, along with their in vitro properties, and thus utilized as auxiliary solid dosage forms upon FDA guidance and approval on pharmaceutical cocrystals whe...
Recent advances in drug delivery and formulation
Jan 1, 2024
The most common route for drug administration is the oral route due to the various advantages offered by this route, such as ease of administration, controlled and sustained drug delivery, convenience, and non-invasiveness. In spite of this, oral dru...
INTRODUCTION: Drug development is a challenging and costly process, yet it plays a crucial role in improving healthcare outcomes. Drug development requires extensive research and testing to meet the demands for economic efficiency, cures, and pain re...