Refining Predictions of Food Effects on Drug Absorption: Models Predicting Gastric Emptying and Bile Concentrations Based on Fat Content and Caloric Intake

Refining Predictions of Food Effects on Drug Absorption: Models Predicting Gastric Emptying and Bile Concentrations Based on Fat Content and Caloric Intake

Authors: Mullin JM
Conference: AAPS
Software: GastroPlus®
Division: PBPK

In the realm of pharmaceutical R&D, the quest for enhanced predictive accuracy and efficiency for Fed State PBPK models has never been more pressing.

Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state

Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state

Publication: Journal of Computer-Aided Molecular Design
Software: ADMET Predictor®

In this study, we use machine learning algorithms with QM-derived COSMO-RS descriptors, along with Morgan fingerprints, to predict the absolute solubility of drug-like compounds.

Digitalizing the TIM-1 Model Using Computational Approaches─Part Two: Digital TIM-1 Model in GastroPlus

Digitalizing the TIM-1 Model Using Computational Approaches─Part Two: Digital TIM-1 Model in GastroPlus

Publication: Mol Pharm
Software: GastroPlus®

A TIM-1 model is an in vitro gastrointestinal (GI) simulator considering crucial physiological parameters that will affect the in vivo drug release process.

Ionization Prediction Summit Webinar Series: Session 1 Fundamentals of Ionization

Ionization Prediction Summit Webinar Series: Session 1 Fundamentals of Ionization

Software: ADMET Predictor®
Division: PBPK

In the Ionization Prediction Summit webinar series, leading industry experts will explain ionization, how ionization modeling works, how ionization models are influenced by the large amounts of industrial data...

Mechanistic modeling of intramuscular administration of long-acting injectable suspensions accounting for fibrosis at the depot site

Mechanistic modeling of intramuscular administration of long-acting injectable suspensions accounting for fibrosis at the depot site

Conference: AAPS
Software: GastroPlus®
Division: PBPK

Antipsychotic drugs formulated as long-acting injectables (LAIs) significantly improve patient compliance compared to regimens that require daily oral administration.

Physiologically Based Pharmacokinetic (PBPK) Modeling of Fexofenadine and Assessment of Transporter DDIs of Fexofenadine with P-gp inducers and inhibitors

Physiologically Based Pharmacokinetic (PBPK) Modeling of Fexofenadine and Assessment of Transporter DDIs of Fexofenadine with P-gp inducers and inhibitors

Conference: AAPS
Software: GastroPlus®
Division: PBPK

Fexofenadine (FEX), a H1-receptor antagonist used in the treatment of allergic rhinitis and chronic idiopathic urticaria, undergoes minimal metabolism and transporters play a major role in its absorption and disposition.

Comprehensive Physiologically Based Pharmacokinetic Model to Assess Drug–Drug Interactions of Phenytoin

Comprehensive Physiologically Based Pharmacokinetic Model to Assess Drug–Drug Interactions of Phenytoin

Publication: Pharmaceutics
Software: GastroPlus®
Division: PBPK

Regulatory agencies worldwide expect that clinical pharmacokinetic drug–drug interactions (DDIs) between an investigational new drug...