Simulations Plus, Inc. · NASDAQ:SLP

Simulations Plus — One-Day National Seminar on "AI in Pharmaceutical Development" at NGSM Institute of Pharma (September 2025)

37 slides from Simulations Plus's conference presentation, Sep 12, 2025

  1. Slide 1: Basics of PBPK Modelling and Introduction to GastroPlus X & its integration with AI

    Basics of PBPK Modelling and Introduction to GastroPlus® X & its integration with AI Anant Ketkar Principal Scientist and Scientific Lead – India Physiologically Based Pharmacokinetic (PBPK) Solutions One-Day National Seminar on "AI in Pharmaceutical Development“ @NGSM Institute of Pharmaceutical Sc

  2. Slide 2: Agenda

    Agenda • Simulations Plus: – Who are we? – Where can we help? • Definitions and Context • Overview of Mechanistic Processes in GastroPlus® • GastroPlus®X Next-Level PBPK – GPX Paradigm and Terminologies • Integration of GPX with AI 2 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NA

  3. Slide 3: Simulations Plus Inc.

    Simulations Plus Inc. 3 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  4. Slide 4: Who We Are

    Who We Are NASDAQ: SLP Regulatory Agencies Using our Technology Pharmaceutical, biotechnology, chemicals, cosmetics, & consumer >280 goods companies in the U.S., Europe, Asia, and South America 200+ Employees >25 Established Worldwide yrs. In 1996 4 © Copyright 2023, Simulations Plus, Inc. All Right

  5. Slide 5: Confidence Level on Clinical Performance

    Complementary Solutions Clinical Pharmacology & Pharmacometrics Medical Communications Decrease development uncertainty, cost, time, and failure rates. Regulatory/ Exposure NCA Response Post Market PBPK / PBBM QSP: Inflammatory, Immune-Oncology, Confidence Level on Clinical Performance Adaptive Appr

  6. Slide 6: Definitions and Context

    Definitions and Context 6 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  7. Slide 7: PBPK M&S and PBBM

    PBPK M&S and PBBM • PBPK Modelling: Physiologically Based PharmacoKinetic Modelling – A mathematical modelling technique for predicting the ADME of synthetic or natural chemical substances in humans and other animal species – The baseline model that combines physiology, population, and drug characte

  8. Slide 8: PBPK & PBBM

    PBPK & PBBM • Describes the body as a system of compartments with respect to absorption and drug disposition – Requires: • Drug-specific parameters • Formulation-specific parameters • System-specific/physiological parameters GastroPlus® PBPK GastroPlus® ACAT Model Structure Model Structure 8 © Copyr

  9. Slide 9: Mechanistic Modelling to Support Regulatory Interaction: The Push!

    Mechanistic Modelling to Support Regulatory Interaction: The Push! https://www.fda.gov/media/101469/download https://www.fda.gov/media/142500/download 2018 2020 https://www.pmda.go.jp/files/000239317.pdf https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-reporting- physiologically

  10. Slide 10: GastroPlus and an Overview of Mechanistic Processes

    GastroPlus® and an Overview of Mechanistic Processes Oral Absorption Modelling 10 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  11. Slide 11: What is happening in-vivo?

    What is happening in-vivo? Fa% FDp% F% (not Fa%) D A PV SC pKa Solubility vs. pH Biorelevant solubility Plasma protein binding Precipitation kinetics Blood:plasma concentration ratio Gut extraction Liver metabolism Tissue distribution Systemic clearance Metabolism Metabolism Transcellular, Paracellu

  12. Slide 12: PBPK Compartmental PK

    PBPK Compartmental PK 12 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  13. Slide 13: The Big Picture

    The Big Picture Structure in vitro in vitro Structure in silico experiments metabolism in silico Formulation: Dose, dosage form, particle size, release profile Physical properties: Peff, PKPlus: Vd, CL, K12, K21, K13, K31 Sw, pKa, logP, fup, Rbp PBPKPlus : CLint IV/Oral PK data in vitro constants:

  14. Slide 14: Pathways Beyond Oral Absorption

    Partners Driving M&S: Scientific Collaborations Pathways Beyond Oral Absorption… Ocular (OCAT ) FDA: Ocular model extensions Oral Cavity (OCCAT ) FDA: Oral cavity model extensions Pulmonary (PCAT ) Dermal (TCAT ) FDA: Dermal model FDA: Pulmonary extensions model extensions Intraarticular (ICAT ) Lar

  15. Slide 15: Where is GastroPlus Being Used Today?

    Where is GastroPlus® Being Used Today? Discovery Preclinical Clinical HO CH3 N H O CH3 H3C O Discovery PK Clinical PK/Pharmacology • Combine in silico technologies to screen compound libraries in animals or humans • Simulate population behaviors (e.g., pediatrics, disease) • Incorporate preclinical/

  16. Slide 16: GastroPlus X Next-Level PBPK

    GastroPlus®X Next-Level PBPK 16 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  17. Slide 17: GPX Paradigm and Terminologies

    GPX Paradigm and Terminologies Two main concepts: - One screen with 2 side panes (Navigation and Modules) and vertical scrolling - Reusable assets 17 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  18. Slide 18: GPX Terminology

    GPX Terminology Message Center View Panel Navigation Modules Pane Pane Subpanel 18 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  19. Slide 19: © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

    19 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  20. Slide 20: Run Settings Configuration

    Run Settings Simulations & Configuration Observed Data Compounds Formulations Dosing The assets are the building blocks of simulations Physiologies Schedules Assets are reusable and shared Pharmacokinetic s 20 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  21. Slide 21: Reusable Assets

    Reusable Assets Compound X in silico IV IV bolus bolus IV bolus 10 mg Cpt 1 Compound X in vitro Tablet Tablet 100 mg Cpt 2 Compound X enz Tablet 50 mg PBPK perf Fast HumMal75kg Fast HumMal75kg Obs IV 10mg Mal Sim IV10mg fast mal 1cpt Fed HumMal75kg Obs Tab 100mg Fem Sim Tab100mg fast fem 2cpt Fast H

  22. Slide 22: Sim IV10mg fast mal 1cpt Sim Tab100mg fast fem 2cpt

    Sim IV10mg fast mal 1cpt Sim Tab100mg fast fem 2cpt Compound X in vitro Compound X in vitro IV bolus IV bolus 10 mg Tablet Tablet 100 mg Cpt 1 Cpt 2 Fast HumMal75kg Phys sched Fast Mal Fast HumFem62kg Phys sched Fast Fem Obs IV 10mg Mal Obs Tab 100mg Fem Sim Tab 50mg enz fed mal PBPK perf Sim Tab 50

  23. Slide 23: The Intersection of AI and PBPK Modeling @ Simulations Plus

    The Intersection of AI and PBPK Modeling @ Simulations Plus 23 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  24. Slide 24: What happens today vs. tomorrow with AI

    “I would like to kindly request a meeting to receive some guidance regarding a new project that we are currently working on, where we are getting very poor predictions, please see below.” What happens today… What happens tomorrow… • Data extracted from reports/publications and, with chemical structu

  25. Slide 25: AI in PBPK Solutions

    AI in PBPK Solutions 25 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  26. Slide 26: Set up a simulation assessment

    Set up a simulation assessment, to get advice for improving the fit of the PO simulation to the observed Cp-time profile Click to run the assessment 26 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  27. Slide 27: Description of "what happened" in the simulation

    Description of “what happened” in the simulation 27 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  28. Slide 28: Actionable feedback for the user to enact

    Actionable feedback for the user to enact Most Important Part: Get it ready to send to AI 28 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  29. Slide 29: Select the AssessmentsPlus AI application

    Select the AssessmentsPlus AI application 29 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  30. Slide 30: Can also upload saved results

    Can also upload saved results Click to run the AI enhancement 30 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  31. Slide 31: AI Summary gives an overview of the simulation

    AI Summary gives an overview of the simulation, followed by a discussion of absorption, distribution, and clearance processes and pathways. Plots and tables provide the data for in-line context. Can generate a downloadable report 31 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NAS

  32. Slide 32: Plot generation is dynamic

    Plot generation is dynamic, depending on what processes occur in this particular simulation 32 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  33. Slide 33: AI Recommendations Bring it All Together

    AI Recommendations Bring it All Together Ask the chatbot for more detailed instructions on how to follow the recommendation… Summarized recommendations with directions for implementing in GPX …or just ask it anything about your simulation and assessment 33 © Copyright 2023, Simulations Plus, Inc. Al

  34. Slide 34: © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

    34 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  35. Slide 35: © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

    35 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  36. Slide 36: For More Information:

    For More Information: Visit our website at: www.simulations-plus.com Or e-mail us at education@simulations-plus.com (training) info@simulations-plus.com (general) 36 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASDAQ: SLP

  37. Slide 37: Visit Our Resource Center

    Visit Our Resource Center Over 3,000 resources including webinar replays, posters, and peer-reviewed publications citing applications of our solutions Journal Articles Presentations Webinars Blogs & more! simulations-plus.com/rc 37 © Copyright 2023, Simulations Plus, Inc. All Rights Reserved. | NASD

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