A Curated Benchmark Database for High-Throughput Mechanistic Pharmacokinetic Prediction

A Curated Benchmark Database for High-Throughput Mechanistic Pharmacokinetic Prediction

Publication: J Pharmacokinet Pharmacodyn
Software: ADMET Predictor®

The evaluation of a drug candidate's pharmacokinetic (PK) properties, while critical for the success of a drug, has traditionally been excluded from the early drug development process, in large part due to the cost of assays and the difficulty predicting PK properties from structures.

Exploring Avenues of Predicting Drug-Induced Liver Injury

Exploring Avenues of Predicting Drug-Induced Liver Injury

Authors: Liyanarachchi DP
Publication: Chem Res Toxicol
Software: DILIsym®

Drug-induced liver injury (DILI) is a major cause of acute liver dysfunction and remains one of the most challenging adverse drug reactions encountered in clinical practice.

Sustained Drug Exposure Drives Efficacy in Mice: PK/PD Analysis of Corallopyronin A against Wolbachia using Physiologically Based Absorption Modeling

Sustained Drug Exposure Drives Efficacy in Mice: PK/PD Analysis of Corallopyronin A against Wolbachia using Physiologically Based Absorption Modeling

Publication: Eur J Pharm Sci
Software: GastroPlus®

Corallopyronin A (CorA) depletes essential Wolbachia endosymbionts of filarial nematodes and is therefore a promising candidate for treating the neglected tropical diseases lymphatic filariasis and onchocerciasis.

Toxicity of Some Natural Products in the Treatment of Rheumatoid Arthritis

Toxicity of Some Natural Products in the Treatment of Rheumatoid Arthritis

Publication: Life 2026

Rheumatoid arthritis (RA) is a chronic autoimmune disease that affects mainly peripheral joints because of inflammation of the synovial membrane.

Integrating In Silico Modeling Into Undergraduate Education To Enhance Students Competency in Biopharmaceutics and Pharmacokinetics

Integrating In Silico Modeling Into Undergraduate Education To Enhance Students Competency in Biopharmaceutics and Pharmacokinetics

Publication: Currents in Pharmacy Teaching and Learning
Software: GastroPlus®

Pharmacokinetics and biopharmaceutics are core components of pharmacy education, providing the scientific foundation for drug development and therapeutic application.

Strategies for Pediatric Dose Derivation From Population Pharmacokinetic Models

Strategies for Pediatric Dose Derivation From Population Pharmacokinetic Models

Authors: Krause A, Cellière G
Publication: J Pharmacokinet Pharmacodyn
Software: Monolix®

Health authorities worldwide require clinical studies in children to ensure scientifically rigorous and consistent dosing.

Quantification of the Exposure of Consumers and Hairdressers to Formaldehyde and Oxalic Acid After Application of Hair Straightening Products Containing Glyoxylic Acid

Quantification of the Exposure of Consumers and Hairdressers to Formaldehyde and Oxalic Acid After Application of Hair Straightening Products Containing Glyoxylic Acid

Publication: Toxicology and Applied Pharmacology
Software: GastroPlus®

Glyoxylic acid (GA), the active ingredient of heat-activated hair straightening products (GHSPs) has been discussed in the context of acute kidney injury (AKI) via oxalic acid (OA) crystal formation and of heat-decomposition resulting in release of formaldehyde.

In Silico Predictions for ADME and Toxicology

In Silico Predictions for ADME and Toxicology

Publication: CRC Press
Software: ADMET Predictor®

Advances in computational modeling are transforming how scientists predict a compound’s Absorption, Distribution, Metabolism, Excretion, and Toxicology (ADMET) profiles.

In Silico Prediction of Solubility, Permeability, and Metabolism

In Silico Prediction of Solubility, Permeability, and Metabolism

Publication: CRC Press

This chapter presents a comprehensive review of in silico techniques for the prediction of solubility, permeability, and metabolism—critical determinants of drug candidates’ pharmacokinetic and safety profiles during drug discovery and development.

Physiologically Based Pharmacokinetic Modeling of Cefotaxime To Inform Pediatric Dosing in Renal Impairment

Physiologically Based Pharmacokinetic Modeling of Cefotaxime To Inform Pediatric Dosing in Renal Impairment

Publication: Eur J Clin Pharmacol
Software: GastroPlus®

Cefotaxime (CFT) is a broad spectrum, third-generation cephalosporin antibiotic prescribed for the treatment of severe infections, yet dosing guidelines for pediatric with renal impairment is scarce.