Use of structure-activity landscape index curves and curve integrals to evaluate the performance of multiple machine learning prediction models

Use of structure-activity landscape index curves and curve integrals to evaluate the performance of multiple machine learning prediction models

Publication: J Cheminform
Software: ADMET Predictor®

Standard approaches to address the performance of predictive models that used common statistical measurements for the entire data set provide an overview of...

So, how cold was it?

So, how cold was it?

We’ve had a cold winter so far in the USA, don’t you think? Snow in Alabama, a blizzard in Boston, another in Chicago, an ice storm in Dallas before the Super Bowl. . .Yep, it’s cold outside. But, take a look at this picture from 100 years ago. It’s hard to imagine how cold it had to have been to make Niagara Falls freeze over.

A short tour of the universe.

A short tour of the universe.

If you want a cheap but out-of-this-world vacation, a short tour of the universe may be just what you are looking for. This video was posted by Adam Frank last January on a National Public Radio blog called 13.7: Cosmos and Culture.

Evolving hERG Inhibition Model

Evolving hERG Inhibition Model

Conference: ACS
Software: ADMET Predictor®
Division: PBPK

Modeling hERG inhibition has significantly gained popularity since 2005, when the FDA recognized the correlation between hERG inhibition and a prolonged QT interval by issuing guidance for the…

Physiologically-Based Pharmacokinetic (PBPK) Model for Prediction of Tobramycin Pulmonary Absorption and Pharmacokinetics in Children

Physiologically-Based Pharmacokinetic (PBPK) Model for Prediction of Tobramycin Pulmonary Absorption and Pharmacokinetics in Children

Division: PBPK

To fit an absorption-pharmacokinetic model for simulation of tobramycin in adult and pediatric populations. Tobramycin pulmonary absorption and pharmacokinetics were simulated using GastroPlus™.

New Graph Library

New Graph Library

A new graph library that provides the right graphs at the right time and with the right information has been developed by Cognigen Corporation, a leading provider of pharmacometric analysis and support services. Comprehensive graphical exploratory data analysis is essential to building pharmacometric models of drug behavior. Previously, deciding which graphs were required to describe the data and then creating a new program for each graph consumed excessive time from both scientists and programmers.

Development of A Mechanistic in vitro – in vivo Correlation for Theophylline

Development of A Mechanistic in vitro – in vivo Correlation for Theophylline

Conference: AAPS
Software: GastroPlus®
Division: PBPK

Theophylline is used to prevent and treat wheezing, shortness of breath, and difficulty breathing caused by asthma, chronic bronchitis, emphesema, and other lung diseases. Immediate release oral…

Application of a Respiratory PBPK Model for Predicting Deposition and Disposition following Inhaled Administration of Morphine

Application of a Respiratory PBPK Model for Predicting Deposition and Disposition following Inhaled Administration of Morphine

Conference: AAPS
Software: GastroPlus®
Division: PBPK

Demonstrate the pulmonary component of the GastroPlus™ Additional Dosage Routes Module™ (ADRM) simulation to develop a pharmacokinetic (PK) and pharmacodynamic (PD) model for inhaled…

Mechanistic PBPK Simulation in Place of In Vivo Drug-Drug Interaction (DDI) Studies for Compliance with Regulatory Requirements of EMA and FDA

Mechanistic PBPK Simulation in Place of In Vivo Drug-Drug Interaction (DDI) Studies for Compliance with Regulatory Requirements of EMA and FDA

Conference: AAPS
Software: GastroPlus®
Division: PBPK

To highlight the application and validation of PBPK DDI simulation results obtained using GastroPlus™ in compliance with newly proposed European Medicines Agency (EMA) and US FDA guidelines for the…