AIMC Topic: Pharmaceutical Preparations

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Advances in Pharmaceutical Cocrystals and Nano-Cocrystals: Strategies for Enhancing Solubility and Translating to Clinical Use.

AAPS PharmSciTech
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 biosensors for pharmaceutical analysis: innovations, challenges, and future prospects.

Biosensors & bioelectronics
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...

Drug and Clinical Candidate Drug Data in ChEMBL.

Journal of medicinal chemistry
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...

A magnetic coupled organic SERS platform integrating acetonitrile-driven microextraction and hotspot enrichment: A new strategy for highly sensitive and precise detection of drug molecules in complex matrices.

Biosensors & bioelectronics
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 ...

HPDAF: A practical tool for predicting drug-target binding affinity using multimodal features.

European journal of medicinal chemistry
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...

Computational approaches for toxicology and Pharmacokinetic properties prediction.

Journal of pharmacokinetics and pharmacodynamics
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 ...

MGRL-DDI: Multiview Graph Representation Learning for Accurate Drug-Drug Interaction Prediction.

Journal of chemical information and modeling
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...

Machine learning-driven discovery of multicomponent pharmaceutical solid forms via DualNet: confidence-aware prediction and ranking of salts and cocrystals.

International journal of pharmaceutics
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...

Integrating artificial intelligence and physiologically based pharmacokinetic modeling to predict in vitro and in vivo fate of amorphous solid dispersions.

Journal of controlled release : official journal of the Controlled Release Society
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 ...

Ever-Increasing Role of Computational Tools in Solid-State Pharmaceutics: Advancing Drug Development with Enhanced Molecular Understanding and Risk Assessment.

Molecular pharmaceutics
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...