This video shows features available in MedChem Designer™ that are available for users that license the ADMET Predictor™ module within GastroPlus™.
Simulations Plus Sets Date for 4th Quarter and Fiscal Year 2017 Earnings Release and Conference Call
Conference Call to be on Tuesday, November 14, at 4:15 PM ET
Robust Uncertainty Estimates for Unbalanced Data Sets
Mathematical models of quantitative structure-activity relationships (QSARs) play a key role in qualifying synthesis ideas, drug candidates and leads.
Combining “Bottom-up” and “Top-down” Approaches to Assess the Impact of Food and Gastric pH on Pictilisib (GDC-0941) Pharmacokinetics
Pictilisib, a weakly basic compound, is an orally administered, potent, and selective pan-inhibitor of phosphatidylinositol 3-kinases for oncology indications.
Investigating Oral Absorption of Carbamazepine in Pediatric Populations
Prediction of the pharmacokinetics of orally administered drugs in children is of importance to optimize the efficacy and safety of pediatricmedicines.
Predictive Biopharmaceutics and Pharmacokinetics: Modeling and Simulation
Scientists have made great discoveries concerning human physiology and gained tremendous knowledge during drug development efforts.
Investigating the state of physiologically based kinetic modelling practices and challenges associated with gaining regulatory acceptance of model applications.
Physiologically based kinetic (PBK) models are used widely throughout a number of working sectors, including academia and industry, to provide insight into the dosimetry related to observed adverse...
Effect of the pulmonary deposition and in vitro permeability on the prediction of plasma levels of inhaled budesonide formulation
The growing interest in the inhalable pharmaceutical products requires advanced approaches to safe and fast product development, such as in silico tools that can be used...
Abstract B083: Population pharmacokinetics and pharmacodynamics for an oral Notch inhibitor, LY3039478, in patients with advanced cancer and healthy volunteers
Background: LY3039478 is an oral Notch inhibitor that prevents release of the Notch Intracellular Domain (NICD) by inhibiting proteolytic activity of the gamma (γ)-secretase complex.
Identification of impurities in macrolides by liquid chromatography–mass spectrometric detection and prediction of retention times of impurities by constructing quantitative structure–retention relationship (QSRR)
Macrolides are multicomponent drugs whose impurity control is always a challenge demanding analysis method with good sensitivity and selectivity.
Industry’s View on Using Quality Control, Biorelevant, and Clinically Relevant Dissolution Tests for Pharmaceutical Development, Registration, and Commercialization.
This article intends to summarize the current views of the IQ Consortium Dissolution Working Group, which comprises various industry companies, on the roles of dissolution testing throughout...
Population Pharmacokinetics (PK) and Exposure-Efficacy Analyses of Nivolumab in Subjects with Advanced Hepatocellular Carcinoma (HCC)
Nivolumab is a fully human immunoglobulin G4 (IgG4) monoclonal antibody (mAb) that selectively binds to the programmed death-1 (PD-1) membrane receptor. PD-1 is a negative regulatory molecule expressed...
Population Pharmacokinetics and Exposure-Response Analyses for Abatacept in Juvenile Idiopathic Arthritis
Polyarticular-course juvenile idiopathic arthritis (pJIA) is the most common chronic rheumatic disorder in children and one of the leading causes of childhood-acquired disability. Treatment with biologic...
Systemization of Time-to-Event Analyses for Pharmacometric Applications
In addition to the values of efficacy and safety endpoints, the timing of such endpoints relative to the start of treatment is often of interest. A commonly used statistical methodology for analyzing such...
Ceftolozane/Tazobactam Dose Selection for Pediatric Patients (Birth to <18 years)
Ceftolozane/tazobactam is a combination of the novel cephalosporin, ceftolozane, and the beta-lactamase inhibitor, tazobactam. It is approved for the treatment of complicated urinary tract infections (cUTI)...
Prospective Liver Safety Comparison of Two Treatments for Autosomal-Dominant Polycystic Kidney Disease (ADPKD) Using Quantitative Systems Toxicology Modeling
The main objective of this research was to prospectively compare the potential for lixivaptan to cause liver toxicity to a comparator drug in the same class, tolvaptan, which has produced off-target liver signals in clinical trials.
Bio–relevant characterisation of lipidic formulations and prediction of in vivo exposure
Lipidic formulations (LFs) are increasingly utilised for the delivery of poorly–water soluble drugs to improve oral bioavailability.
The solubility-permeability trade-off of progesterone with cyclodextrins under physiological conditions: Experimental observations and computer simulations
This study intended to evaluate the effect of cyclodextrins on the apparent solubility and permeability of lipophilic drugs under physiological conditions and establish in silico model to choose...
Characterization of stress degradation products of amodiaquine dihydrochloride by liquid chromatography with high‐resolution mass spectrometry and prediction of their properties by using ADMET Predictor™
The degradation behavior of amodiaquine dihydrochloride, an antimalarial drug, was investigated in solution as well as solid states.