International journal of pharmaceutics
Jul 30, 2025
The unpleasant tastes of drugs, including bitterness, pungency, astringency, and sourness, significantly impedes patient adherence, particularly among pediatric and geriatric populations. Accurate evaluation of these tastes is essential for optimizin...
Solubility is critical in drug discovery and development, as it significantly influences a medication's bioavailability and therapeutic efficacy. Understanding solubility at the early stages of drug discovery is essential for minimizing resource cons...
The development of continuous pharmaceutical manufacturing is crucial and can be analyzed via advanced computational models. Machine learning is a strong computational paradigm that can be integrated into a continuous process to enhance the drugs' so...
Journal of chemical information and modeling
Jul 2, 2025
Exploring drug-target interactions (DTIs) is crucial for drug discovery. Most existing methods for predicting DTIs rely solely on the linear structures of molecules, such as SMILES or the amino acid sequence. However, these linear features fail to re...
This study introduces a sophisticated predictive framework for determining drug solubility and activity values in formulations via machine learning. The framework utilizes a comprehensive dataset consisting of more than 12,000 data rows and 24 input ...
International journal of pharmaceutics
Jul 1, 2025
Mesoporous silica has emerged as a promising component in bio-enabling formulation strategy. However, there is currently a lack of predictive tools for assessing drug-silica interactions in a preformulation phase, when formulators only have minimal m...
Journal of chemical information and modeling
Jun 17, 2025
Accurate prediction of drug-protein interactions is crucial for drug discovery. Due to the bottleneck of traditional scoring functions, many machine learning scoring functions (MLSFs) have been proposed for structure-based drug screening. However, ex...
Journal of chemical information and modeling
Jun 5, 2025
Determining accurate drug dissolution processes in the gastrointestinal tract is critical in drug discovery as dissolution profiles provide essential information for estimating the bioavailability of orally administered drugs. While various methods h...
For analysis of crystallization, the solubility of drug in solvents should be correlated to input parameters. In this investigation, the solubility of salicylic acid as drug model in a variety of solvents is predicted through the utilization of multi...
Drug-target interactions (DTIs) play a critical role in drug discovery and repurposing. Deep learning-based methods for predicting drug-target interactions are more efficient than wet-lab experiments. The extraction of original and substructural feat...
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.