Predicting Five Rat Acute Toxicity Endpoints with ANNE Models

Predicting Five Rat Acute Toxicity Endpoints with ANNE Models

Conference: NIH
Software: ADMET Predictor®
Division: Simulations Plus

Used ANNE technology to develop regression and classification models. Curation identified activity cliffs and questionable LD50 values. Model applicability domain is defined by the minimum and…

Mechanistic Absorption/PBPK Modeling to Predict Positive/Negative Food Effects: Approaches and Special Considerations

Mechanistic Absorption/PBPK Modeling to Predict Positive/Negative Food Effects: Approaches and Special Considerations

Authors: DiBella J
Conference: Le Club Phase 1 PBPK Symposium
Division: Simulations Plus

1) Early examples and proposed approach 2) Fasted vs. fed state model descriptions – where are we today? 3) Case study: positive food effect predictions – input review 4) Case study: negative food effect…

Leveraging PopPK and PBPK Modeling Approaches to Understand Food/PPI Effects

Leveraging PopPK and PBPK Modeling Approaches to Understand Food/PPI Effects

Authors: DiBella J
Conference: Le Club Phase 1 PBPK Symposium
Division: Simulations Plus

Applying both top-down (PopPK and PBPK) and bottom-up (PBPK) modeling approaches can leverage existing data sets and help prospectively answer questions. Predictions of absorption-related DDIs…

Applying Physiologically-Based Pharmacokinetic (PBPK) Modeling & Simulation to Assist with Pharmaceutical Research and Regulatory Submissions

Applying Physiologically-Based Pharmacokinetic (PBPK) Modeling & Simulation to Assist with Pharmaceutical Research and Regulatory Submissions

Authors: Morris D
Conference: CERSI
Software: GastroPlus®
Division: Cognigen

Open communication between regulatory agencies, pharmaceutical companies, universities, and software providers will help identify new M&S applications.

Development of a Physiologically Based Pharmacokinetic Model for Raltegravir and Prediction of its Interactions with Rifampicin

Development of a Physiologically Based Pharmacokinetic Model for Raltegravir and Prediction of its Interactions with Rifampicin

Conference: AAPS
Software: GastroPlus®
Division: Simulations Plus

Raltegravir (MK-0518; Isentress™), the HIV-1 integrase strand transfer inhibitor is approved for HIV-1 therapy in combination with other antiretroviral agents.