Poor oral bioavailability in most modern pharmaceuticals is primarily caused by poor aqueous solubility. Most NCEs (New Chemical Entities) and nearly 40% of drugs on the market fall into either Biopharmaceutical Classification System (BCS) class II o...
Chemiluminescent (CL) biosensors have rapidly emerged as indispensable analytical tools within the multifaceted domains of pharmaceutical research, development, and clinical diagnostics. This prominence stems from their intrinsic attributes such as h...
ChEMBL is a large-scale, open-access, FAIR database of bioactive molecules with drug-like properties. ChEMBL 35 contains 17,500 approved drugs, and drugs that are progressing through the clinical development pipeline. Drug curation has formed an inte...
The sensitive detection of drug molecules in complex biological samples presents significant challenges, including weak signal intensity, strong matrix interference, and inefficient access of molecules to SERS hotspots. To address these issues, this ...
European journal of medicinal chemistry
Sep 8, 2025
Accurate prediction of drug-target binding affinity is crucial for efficient drug discovery and design, enabling researchers to better understand molecular interactions and accelerate the identification of promising drug candidates. Despite recent ad...
Journal of pharmacokinetics and pharmacodynamics
Sep 4, 2025
Pharmacokinetics and toxicological studies how the body reacts to a specific administered substance, such as a drug, toxin, or food. Each substance experiences these four steps: absorption, distribution, metabolism, and excretion, which are the main ...
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...
International journal of pharmaceutics
Sep 2, 2025
Salts and cocrystals are vital multicomponent entities for tuning pharmaceuticals' solid-state properties, yet their experimental screening is labor-intensive and often inefficient. We introduce a DualNet Ensemble algorithm, a multi-class classificat...
Journal of controlled release : official journal of the Controlled Release Society
Aug 16, 2025
Amorphous solid dispersions (ASDs) have emerged as a pivotal strategy in enhancing the dissolution profiles of poorly water-soluble drugs. Although the apparent dissolution rate (both molecular and colloidal drugs) within ASDs has been determined in ...
The field of solid-state pharmaceutics comprises a broad range of investigations into various structural aspects of pharmaceutical solids, establishing a rational structure-property correlation. These solid systems allow the tunability of the physico...
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