Presentation Archives - Simulations Plus

When Mechanistic IVIVC Falls Short: The Case for IVIVR in Oral Drug Delivery

July 13, 2025
Presentation

When Mechanistic IVIVC Falls Short: The Case for IVIVR in Oral Drug Delivery

Authors: Mullin JM

Conference: CRS

Keywords: admet predictor, gastroplus, In vitro in vivo correlations (IVIVC), In vitro–in vivo relationship (IVIVR), oral drug delivery, pbbm

Software: ADMET Predictor®, GastroPlus®

Traditional IVIVC is robust for ER formulations where dissolution is rate limiting.

Navigating Synthon Space: Property-Driven Molecular Optimization for Pharmacokinetics

June 4, 2025
Presentation

Navigating Synthon Space: Property-Driven Molecular Optimization for Pharmacokinetics

Authors: Bachorz RA

Conference: ICCS

Keywords: admet predictor, compound design, drug-like compounds, early drug discovery, HTPK profiling

Software: ADMET Predictor®

Division: Cheminformatics

The Complexity of Chemical Space

Recent Advances in Predicting Drug-Induced Liver Injury (DILI): New Capabilities and SimPops in DILIsym (DS11) and Machine Learning ADMET Predictor Supported Toxicity Parameters

March 19, 2025
Presentation

Recent Advances in Predicting Drug-Induced Liver Injury (DILI): New Capabilities and SimPops in DILIsym (DS11) and Machine Learning ADMET Predictor Supported Toxicity Parameters

Authors: Siler SQ

Conference: SOT

Keywords: admet predictor, DILIsym, drug induced liver injury (DILI), drug toxicity, SimPops

Software: ADMET Predictor®, DILIsym®

Division: Cheminformatics, Quantitative Systems Pharmacology (QSP)

DILIsym support enabled via multiple routes

Lunch and Learn – ACT 45th Annual Meeting

November 21, 2024
Presentation

Lunch and Learn – ACT 45th Annual Meeting

Authors: Beaudoin J

Keywords: admet predictor, DILIsym, machine learning

Software: ADMET Predictor®, DILIsym®

Division: Quantitative Systems Pharmacology (QSP)

Hitting the Sweet Spot: Mechanism-Based Modeling to Evaluate the Interplay of Liver Compound Exposure and Liver Toxicity to Identify Safe Dosing Regimens

November 14, 2024
Presentation

Hitting the Sweet Spot: Mechanism-Based Modeling to Evaluate the Interplay of Liver Compound Exposure and Liver Toxicity to Identify Safe Dosing Regimens

Authors: Shoda LKM

Conference: ACoP

Keywords: DILIsym, dosing, liver toxicity, modeling

Software: DILIsym®

Division: Quantitative Systems Pharmacology (QSP)

Thales: A unified framework for clinical-scale QSP modeling

November 14, 2024
Presentation

Thales: A unified framework for clinical-scale QSP modeling

Authors: Suderman R

Conference: ACoP

Keywords: QSP (quantitative systems pharmacology), QSP modeling, Thales QSP software platform

Software: Thales

Division: Quantitative Systems Pharmacology (QSP)

Practical tips for using GenAI in Biomedicine

October 22, 2024
Presentation

Practical tips for using GenAI in Biomedicine

Authors: Kalra P

Conference: AAPS

Keywords: AAPS2024, ai, Biomedicine, drug discovery, GenAI, generative artificial intelligence (genAI) algorithms

Division: PBPK

Now that we a are couple of years into the age of generative AI, it’s clear that it is transforming scientific research and drug discovery.

Integrating Human Biomimetic Liver Microphysiology System with Quantitative Systems Toxicology Modeling to Predict DILI

June 13, 2024
Presentation

Integrating Human Biomimetic Liver Microphysiology System with Quantitative Systems Toxicology Modeling to Predict DILI

Authors: Yang K

Conference: Discovery Toxicology

Keywords: DILI, DILIsym, human liver microphysiology system, immune checkpoint inhibitors, Quantitative Systems Toxicology (QST), Tocilizumab

Software: DILIsym®

Division: Quantitative Systems Pharmacology (QSP)

Integrating Human Biomimetic Liver Microphysiology System with Quantitative Systems Toxicology Modeling to Predict DILI

Integrating Human Biomimetic Liver Microphysiology System with Quantitative Systems Toxicology Modeling to Predict DILI

May 18, 2024
Presentation

Integrating Human Biomimetic Liver Microphysiology System with Quantitative Systems Toxicology Modeling to Predict DILI

Authors: Yang K

Conference: Drug-Induced Liver Injury Conference

Keywords: DILI, DILIsym, human liver microphysiology system, immune checkpoint inhibitors, Quantitative Systems Toxicology (QST), Tocilizumab

Software: DILIsym®

Division: Quantitative Systems Pharmacology (QSP)

Integrating Human Biomimetic Liver Microphysiology System with Quantitative Systems Toxicology Modeling to Predict DILI

Construction of a Simulated Population of Post-Menopausal Women for the Prediction of Drug-Induced Liver Injury (DILI)

April 1, 2024
Presentation

Construction of a Simulated Population of Post-Menopausal Women for the Prediction of Drug-Induced Liver Injury (DILI)

Authors: Woodhead JL

Conference: ASCPT

Keywords: drug induced liver injury (DILI), pharmacodynamics (PD), pharmacokinetics (PK), postmenopausal women, Quantitative Systems Toxicology (QST), toxicodynamics

Software: DILIsym®

Division: Quantitative Systems Pharmacology (QSP)

ASCPT 2024: Construction of a Simulated Population of Post-Menopausal Women for the Prediction of Drug-Induced Liver Injury (DILI)

Lunch & Learn – SOT 63rd Annual Meeting and ToxExpo

March 15, 2024
Presentation

Lunch & Learn – SOT 63rd Annual Meeting and ToxExpo

Authors: Howell BA, Mueller A

Conference: SOT

Keywords: ADMET PredictorTM, DILIsym, gastroplus, RENAsym

Software: ADMET Predictor®, DILIsym®, GastroPlus®, RENAsym®

Division: Clinical Pharmacology and Pharmacometrics (CPP), PBPK, Quantitative Systems Pharmacology (QSP)

SOT 2024: What's New at Simulations Plus, Your Partner in Winning, for Exposure and Safety Assessment

Simulations Plus Investor Day 2023

November 14, 2023
Presentation, Videos

Simulations Plus Investor Day 2023

Keywords: investor relations, Modeling and simulations, Simulations Plus

Putting Clients First Drives Growth and Fuels Innovation

Contributed data, collaboration and experience with ionization models – Part 1. Bayer Pharmaceuticals

November 7, 2023
Presentation

Contributed data, collaboration and experience with ionization models – Part 1. Bayer Pharmaceuticals

Authors: ter Laak A, Gunther J

Keywords: drug discovery, early drug development, ionization prediction, Ionization Prediction Summit, pKa prediction

Software: ADMET Predictor®

World‘s best in class pKa prediction tool

Utilizing pKa Values for Effective Crop Protection: On Systemicity and Efficacy of Molecules

November 7, 2023
Presentation

Utilizing pKa Values for Effective Crop Protection: On Systemicity and Efficacy of Molecules

Authors: Grimbs S

Keywords: agrochemicals, crop protection, drug discovery, early drug development, Ionization Constants (pKa), Ionization Prediction Summit

Software: ADMET Predictor®

pKa important factor in research screening cascade of molecules

Improving pKa modelling through active collaborations

October 31, 2023
Presentation

Improving pKa modelling through active collaborations

Authors: Nguyen HQ

Keywords: admet predictor, drug discovery, early drug development, Ionization Constants (pKa), Ionization Prediction Summit, pKa

Software: ADMET Predictor®

What needs to be completed for collaboration?

Impact of collaborative pKa modelling

October 31, 2023
Presentation

Impact of collaborative pKa modelling

Authors: Reutlinger M

Keywords: admet predictor, drug discovery, in silico, Ionization Prediction Summit, pKa model, Roche

Software: ADMET Predictor®

Importance of pKa in Drug Discovery

The application of AI-driven Drug Discovery technology for molecular optimization of nuclear receptor ligands

September 18, 2023
Presentation

The application of AI-driven Drug Discovery technology for molecular optimization of nuclear receptor ligands

Authors: Bachorz RA

Conference: Congress of the Polish Chemical Society

Keywords: admet predictor, AI-Driven Drug Design, nuclear receptor, QSAR model

Software: ADMET Predictor®

Division: PBPK

ADMET Predictor® as a de novo drug design environment

Applying Mechanistic PBPK Modeling and Simulations to Support Regulatory Interactions

May 26, 2023
Presentation

Applying Mechanistic PBPK Modeling and Simulations to Support Regulatory Interactions

Authors: Novakovic J

Conference: CSPS

Keywords: drug development, drug-drug interactions (DDIs), gastroplus, MIDD, PBPK modeling

Software: GastroPlus®

Division: PBPK

Physiologically-Based Pharmacokinetic (PBPK) Modeling is a Tool/Component of Model-Informed Drug Development (MIDD)

Model conception, parameterization using in silicomethods, and computational implementation

April 14, 2023
Presentation

Model conception, parameterization using in silicomethods, and computational implementation

Authors: Lawless M

Software: ADMET Predictor®

The PKB model structure depends on the problem, knowledge of the biokinetic mechanism, and availability of suitable data

TriCAMS: Opportunities for Faculty, Postdocs, and Graduate Students

October 19, 2022
Presentation

TriCAMS: Opportunities for Faculty, Postdocs, and Graduate Students

Authors: Zhou H, Beaudoin J

Conference: Triangle Computational and Applied Mathematics Symposium (TriCAMS)

Keywords: career opportunities

Division: Quantitative Systems Pharmacology (QSP)

Privacy Overview

This website uses cookies to improve your experience while you navigate through the website. For more information on use of cookies or similar tracking technologies on our website: View our Cookie Notice. Out of these, the cookies that are categorized as necessary are stored on your browser as they are essential for the working of basic functionalities of the website. We also use third-party cookies that help us analyze and understand how you use this website. These cookies will be stored in your browser only with your consent. You also have the option to opt-out of these cookies. But opting out of some of these cookies may affect your browsing experience.

Necessary

Necessary

Always Enabled

Necessary cookies are absolutely essential for the website to function properly. These cookies ensure basic functionalities and security features of the website, anonymously.

Cookie	Duration	Description
cookielawinfo-checkbox-analytics	11 months	This cookie is set by GDPR Cookie Consent plugin. The cookie is used to store the user consent for the cookies in the category "Analytics".
cookielawinfo-checkbox-functional	11 months	The cookie is set by GDPR cookie consent to record the user consent for the cookies in the category "Functional".
cookielawinfo-checkbox-necessary	11 months	This cookie is set by GDPR Cookie Consent plugin. The cookies is used to store the user consent for the cookies in the category "Necessary".
cookielawinfo-checkbox-others	11 months	This cookie is set by GDPR Cookie Consent plugin. The cookie is used to store the user consent for the cookies in the category "Other.
cookielawinfo-checkbox-performance	11 months	This cookie is set by GDPR Cookie Consent plugin. The cookie is used to store the user consent for the cookies in the category "Performance".
viewed_cookie_policy	11 months	The cookie is set by the GDPR Cookie Consent plugin and is used to store whether or not user has consented to the use of cookies. It does not store any personal data.

Functional

Performance

Analytics

Advertisement

Others