Free Pharmacokinetic & Pharmacodynamic Drug Simulators

PK/PD simulator for antibody-drug conjugate effector function. Explore payload release and tumor cell killing dynamics.

Daclizumab PK simulator. Daclizumab is a humanized IgG1 monoclonal antibody that binds CD25 (IL-2 receptor alpha subunit), blocking IL-2 signaling to activated T cells. Used in relapsing multiple sclerosis. Simulate concentration-time profiles for IV and SC dosing regimens.

Maternal-fetal pharmacokinetic model. Predict drug transfer across placenta and fetal exposure.

Minimal PBPK model for monoclonal antibodies. Explore tissue distribution, FcRn recycling, and target-mediated disposition.

Oncology dose selection framework for first-in-human studies. Explore therapeutic window and dose-limiting toxicity.

Population pharmacokinetic model implementation. Explore covariate effects and interindividual variability.

Quantitative Systems Pharmacology (QSP) model framework. Multi-scale mechanistic modeling for drug development.

T-cell engager (TcE) bispecific antibody PK/PD model. Simulates T-cell activation, tumor cell killing, and cytokine release.

Tumor Exposure-Activity (TEA) model for antibody therapeutics. Predict tumor penetration and efficacy.

Weight-HbA1c-Insulin-Glucose (WHIG) QSP model for metabolic disease drug development. Predicts body weight and glycemic outcomes.

Shah & Betts mAb PBPK model. Industry-standard minimal PBPK for therapeutic antibody tissue distribution.

Peripheral receptor occupancy (piPKRO) model for monoclonal antibodies. Simulates TMDD with tissue distribution, showing how peripheral target expression affects local drug depletion.

Interactive population PK simulator for trastuzumab emtansine (T-DM1/Kadcyla) and trastuzumab deruxtecan (T-DXd/Enhertu). 2-compartment IV models from MBMA of 103 clinical trials. Compare HER2-targeted ADC exposures across doses and body weights.

Interactive pharmacokinetic simulator for doxazosin (Cardura). Explore a 1-compartment oral PK model with adjustable dosing (1-16 mg), weight, and hepatic function parameters based on Elliott et al. 1987.

Interactive pharmacodynamic simulator for antibiotic combination therapy. Models drug-drug interactions between antibiotics including synergy, additivity, and antagonism effects on bacterial kill curves. Useful for optimizing multi-drug antimicrobial regimens and understanding PD interactions in infectious disease treatment.

Interactive pharmacokinetic simulator for cefepime continuous IV infusion in critically ill ICU patients. Based on the Jonckheere et al. 2019 two-compartment population PK model with creatinine clearance and allometric weight scaling. Simulates target-controlled infusion (TCI) dosing and T>MIC target attainment.

Interactive pharmacokinetic simulator for Dolutegravir (DTG, Tivicay) — 1-compartment model with pregnancy and drug interaction effects. Based on Liu et al. 2020 PBPK and Dooley et al. 2015 population PK.

Population PK simulator for Datopotamab Deruxtecan (Dato-DXd, DATROWAY), a TROP2-directed antibody-drug conjugate. Two-compartment ADC model with parallel linear and Michaelis-Menten elimination semi-mechanistically linked to one-compartment DXd payload model. Based on Hong et al. (2025) CPT:PSP.

Population PK simulator for datopotamab deruxtecan (Dato-DXd, Datroway) — TROP2-directed ADC for NSCLC and breast cancer. Simulates intact ADC (2-CMT, parallel linear + Michaelis-Menten clearance) and free DXd payload with albumin and body weight covariates. Based on Hong et al. CPT:PSP 2025. Compare payload exposure to T-DXd.

Interactive population pharmacokinetic simulator for efsubaglutide alfa, a novel long-acting GLP-1 receptor agonist for type 2 diabetes. Two-compartment model based on Lou et al. 2025 (Clin Pharmacokinet).

Interactive population pharmacokinetics simulator for trastuzumab deruxtecan (T-DXd / ENHERTU). Sequential 2-compartment ADC and 1-compartment released DXd payload model. Covariate effects on CL and volume. Based on Yin et al. Clin Pharmacol Ther 2021.

Population PK/PD simulator for eplontersen (WAINUA), a GalNAc3-conjugated ASO for transthyretin amyloidosis. Two-compartment PK with indirect response PD model. Based on Diep et al. 2022.

Interactive PBPK-derived pharmacokinetic simulator for flutamide and its active metabolite 2-OH-flutamide. Based on Sharma et al. (2020) whole-body PBPK model calibrated to Radwanski et al. (1989) human data. Explore CYP1A2-driven metabolism, tissue partition coefficients (Kp prostate/plasma = 2.17), and parent-metabolite PK for prostate cancer dosing (250 mg TID).

Interactive population pharmacokinetic simulator for fruquintinib (FRUZAQLA), a selective VEGFR-1/2/3 tyrosine kinase inhibitor for metastatic colorectal cancer. One-compartment model based on Zhou et al. 2025 (J Clin Pharmacol).

Interactive population pharmacokinetic simulator for ganciclovir following valganciclovir oral dosing in solid organ transplant recipients. 2-compartment model with allometric scaling and renal function covariate.

Interactive population PK/PD simulator for inotersen (Tegsedi), an antisense oligonucleotide for hereditary transthyretin amyloidosis (hATTR-PN). Two-compartment PK model with indirect response PD model based on Yu et al. 2020.

Interactive population PK simulator for BAY 81-8973 (Kovaltry), a full-length recombinant Factor VIII for hemophilia A prophylaxis. Two-compartment model from Garmann et al. 2017 LEOPOLD trials with LBW covariate scaling.

Population PK simulator for high-dose methotrexate (HD-MTX) based on the MTXPK.org 3-compartment model by Taylor et al. (2020). Simulates elimination profiles with BSA and serum creatinine covariates to inform glucarpidase administration in pediatric ALL patients.

Population PK simulator for mirvetuximab soravtansine (ELAHERE, IMGN853) — FRα-targeted ADC with DM4 maytansinoid payload for platinum-resistant ovarian cancer. Two-compartment ADC model with albumin covariate on clearance and AIBW-based dosing. The first ADC to show OS benefit vs chemotherapy in a solid tumor (MIRASOL trial). Based on Choudhry et al. CPT 2023 and FDA Clinical Pharmacology Review.

Interactive PK simulator for ganciclovir (IV) and valganciclovir (oral) in solid organ transplant patients with CMV. 2-compartment model with CLCR-dependent clearance from Caldés et al. (2009).

Interactive ganciclovir PK simulator based on population pharmacokinetic model in adult Chinese renal transplant recipients after valganciclovir administration. 2-compartment model with CLcr covariate. Target AUC 40-50 mg·h/L.

Interactive pediatric population PK simulator for moxifloxacin in children with rifampicin-resistant tuberculosis. Two-compartment model with transit absorption and allometric scaling from the CATALYST trial (Palmer et al. 2025, Br J Clin Pharmacol).

Interactive simulator for oxcarbazepine (OXZ) and its active metabolite MHD population pharmacokinetics in pediatric patients including children with obesity. Based on allometric PKWT-scaled 1-CMT parent-metabolite model from Samant et al. 2025.

Interactive population PK simulator for oxfendazole tablet formulation. Drug-metabolite model with first-pass metabolism and dose-limited bioavailability for onchocerciasis dose optimization.

Physiologically-based pharmacokinetic-pharmacodynamic (PBPK-PD) model of topoisomerase I inhibitor antibody-drug conjugates. Simulates ADC distribution, linker cleavage, payload release, DNA damage via topoisomerase I inhibition, and tumor response. Models approved Topo1 ADCs including sacituzumab govitecan (Trodelvy) and trastuzumab deruxtecan (Enhertu) with mechanism-based cytotoxicity.

PBPK-PD model for topoisomerase I-targeting antibody-drug conjugates (Topo1 ADCs) including sacituzumab govitecan (Trodelvy, anti-Trop-2) and trastuzumab deruxtecan (Enhertu, anti-HER2). Simulates ADC disposition, linker cleavage, payload distribution, and tumor pharmacodynamics for camptothecin-based payloads (SN-38, DXd). Key for predicting efficacy and toxicity in breast, gastric, lung, and other solid tumors.

Physiologically-based pharmacokinetic-pharmacodynamic (PBPK-PD) model of topoisomerase I inhibitor antibody-drug conjugates. Simulates ADC distribution, linker cleavage, payload release, DNA damage via topoisomerase I inhibition, and tumor response. Models approved Topo1 ADCs including sacituzumab govitecan (Trodelvy) and trastuzumab deruxtecan (Enhertu) with mechanism-based cytotoxicity.

Whole-body PBPK-PD simulator for trastuzumab deruxtecan (T-DXd) and sacituzumab govitecan (SG). Predicts plasma PK, DXd lung concentrations, ILD risk by dose and age. Based on Wang et al. Eur J Pharm Sci 2025.

Interactive semi-mechanistic simulator of uric acid dynamics in hyperuricemia. Explore effects of xanthine oxidase inhibitors (allopurinol, febuxostat) and uricosuric agents (lesinurad) on serum uric acid based on patient GFR and fractional excretion. Based on Aksenov et al. 2018.

Population PK simulator for patritumab deruxtecan (HER3-DXd) — HER3-directed ADC with DXd payload for EGFR-mutant NSCLC. Two-compartment ADC model with body-weight covariate (exponent 0.72) linked to one-compartment DXd payload. Standard dose 5.6 mg/kg Q3W. Based on Guo et al. 2024 CPT:PSP. Compare DXd payload exposure vs T-DXd and Dato-DXd.

Interactive population PK simulator for piperacillin in neonates. 1-CMT model with Rhodin sigmoidal maturation (PMA), allometric BW scaling, and SCr covariate. Calculates %fT>MIC for TDM-guided dosing in NICU.

Interactive pharmacokinetic simulator for losartan and its active metabolite EXP-3174, featuring a sinusoidal gastric emptying model that describes oscillatory plasma concentration profiles after oral administration. Based on Karatza & Karalis (2020) population PK analysis.

Interactive population pharmacokinetic simulator for docetaxel (Taxotere) based on Bruno et al. 1998 landmark study in 640 cancer patients. 3-compartment model with BSA, AAG (alpha-1-acid glycoprotein), and hepatic function covariates. Explore neutropenia risk thresholds and exposure-response relationships.

Population pharmacokinetic simulator for linezolid in COVID-19 ARDS patients on veno-venous ECMO. 1-compartment IV infusion model with PK/PD target attainment for dosing optimization.

Interactive PK/PD simulator for Lorlatinib (PF-06463922), a 2nd-gen ALK/ROS1 inhibitor. Features 1-CMT oral PK, precursor modulator model capturing ALK phosphorylation rebound, and tumor growth inhibition model. Based on Yamazaki et al. (2014) JPET.

Semi-mechanistic PK/PD model for rucaparib (PARP inhibitor) with DDR-based tumor growth inhibition. Two-compartment clinical PK with Gompertz TGI model showing synthetic lethality in BRCA-mutant and HRD+ tumors. Based on Villette et al. (2025) Br J Cancer.

Interactive Sertraline PopPK simulator with CYP2C19 genotype (EM vs PM) and age effects. 1-CMT oral model from South Indian patient study (n=104). Explore how poor metabolizers (CYP2C19*2/*2, *3/*3) — 12.5% prevalence in South India — achieve ~2.8× higher steady-state concentrations.

Interactive PBPK-PD simulator for T-DXd (Enhertu, trastuzumab deruxtecan) predicting DXd lung exposure and ILD risk probability across doses (3.2–6.4 mg/kg) and patient age (50–80 years). Based on the Wang et al. 2025 mechanistic PBPK model. Essential tool for understanding interstitial lung disease risk stratification in HER2-targeted ADC therapy.

Interactive Trastuzumab PBPK-TMDD simulator showing how shed HER2 antigen (ECD HER2) affects drug pharmacokinetics and receptor occupancy. Based on the Shah (2013) minimal PBPK model with target shedding.

Interactive trastuzumab PBPK-TMDD simulator incorporating HER2 target shedding. Explore how soluble ECD HER2 levels (0–2200 ng/mL) alter drug pharmacokinetics and receptor occupancy in breast cancer patients.

Interactive trastuzumab PK simulator incorporating HER2 target shedding using a minimal PBPK-TMDD model. Explore how plasma ECD HER2 levels affect drug exposure and membrane-bound receptor occupancy.

Interactive two-compartment population PK simulator for oral tacrolimus in adult allogeneic hematopoietic cell transplant (allo-HCT) recipients. Includes CYP3A5 metabolizer phenotype and conditioning regimen intensity covariates. Based on Dunlap et al. (2025) Clin Pharmacokinet.

Interactive tacrolimus population PK simulator with CYP3A genotype-guided dosing (PM/IM/EM) for kidney transplant recipients. Based on Woillard et al. 2017.

Population pharmacokinetic simulator for tacrolimus IV continuous infusion in pediatric and young adult patients undergoing hematopoietic cell transplantation (HCT). Two-compartment model with allometric weight scaling and CYP3A4/5 inhibitor effect. Based on Brooks et al. (2021).

Interactive PK/PD simulator for antidepressant tapering. Compare daily vs every-other-day dosing and receptor occupancy variation for citalopram, escitalopram, sertraline, duloxetine, and mirtazapine. Based on O'Neill et al. J Affect Disord 2025.

Interactive PK simulator for theophylline based on Rovei et al. (1982) dose-range study. One-compartment oral model with smoking covariate.

Compare intranasal nalmefene (OPVEE) and naloxone (NARCAN) pharmacokinetics for opioid overdose rescue. Interactive 2-compartment PopPK model with cardiac arrest outcome simulations based on Laffont et al. (2024).

Interactive translational PK-PD comparison of intranasal nalmefene (OPVEE) vs intranasal naloxone (Narcan) for synthetic opioid overdose reversal. Population PK models with cardiac arrest simulation data from 2000 virtual patients.

Interactive PK/PD simulator for tramadol in neuropathic pain with diabetes covariates. Two-compartment model with active M1 metabolite and Imax pain response model. Based on Chun et al. 2025 (CPT Pharmacometrics Syst Pharmacol).

Simulate trastuzumab pharmacokinetics with HER2 target shedding. Explore how circulating ECD-HER2 antigen creates a drug sink, trough concentration collapse at high ECD levels, HER2 receptor occupancy, and dose optimization strategies for high-shedding patients.

Interactive population PK simulator for trastuzumab (Herceptin) in HER2+ metastatic breast cancer. 2-compartment IV model with covariate effects on clearance and volume. Based on Bruno et al. (2005).

Population PK simulator for sacituzumab govitecan (SG, Trodelvy) — TROP2-directed ADC for TNBC, HR+/HER2- breast cancer, and urothelial cancer. Triple-analyte model: intact ADC, free SN-38 payload (with UGT1A1 genotype covariate), and total antibody with time-dependent clearance. Based on Sathe et al. Clin Pharmacokinet 2024.

Population PK simulator for VRC07-523LS broadly neutralizing HIV antibody in infants and adults. Two-compartment model with zero-order SC absorption from Huynh et al. JAC 2026. Simulates concentration-time profiles and PT80 neutralization ratios.

Population pharmacokinetic simulator for intravenous voriconazole in critically ill ICU patients with pulmonary disease. One-compartment model (CL=4.28 L/h, Vd=93.4 L) with direct bilirubin covariate effect on clearance. Based on Chen et al. 2015.

Interactive population PK simulator for capecitabine and its metabolites (5'-DFCR, 5'-DFUR, 5-FU) based on Urien et al. 2005. 4-compartment sequential metabolite model with bilirubin covariate effects. Built for oncology PK/PD research.

Interactive pharmacokinetic simulator for rucaparib (Rubraca), a PARP inhibitor approved for BRCA1/2-mutated advanced ovarian cancer. Based on FDA NDA 209115 population PK analysis using a two-compartment model with sequential zero-order/first-order absorption.

Population PK simulator for lenvatinib (Lenvima) based on 3-compartment model from Gupta et al. (2016). Explore dose-exposure relationships with CYP3A4 interactions, weight, and hepatic function covariates.

Interactive simulator for tacrolimus extended-release (Advagraf®) pharmacokinetics in renal transplant recipients. Based on Benkali et al. 2010 population PK model with CYP3A5 genotype effect on clearance. Demonstrates 2-fold difference in exposure between CYP3A5 expressers and non-expressers.

Interactive population PK simulator for osimertinib (Tagrisso) in NSCLC. Models parent drug and active AZ5104 metabolite with covariate effects (weight, albumin, ethnicity). Includes QTcF and exposure-response for rash/diarrhoea. Based on Planchard et al., Br J Clin Pharmacol 2016.

Interactive population pharmacokinetic simulator for rucaparib (Rubraca), an oral PARP inhibitor approved for ovarian cancer and mCRPC. Two-compartment model with covariate effects of creatinine clearance and albumin on clearance. Based on Green et al. Cancer Chemother Pharmacol (2022).

Interactive PK/PD simulator for rucaparib (AG-014699) — PARP1/2/3 inhibitor. 3-compartment IV population PK model with direct Emax PARP inhibition. Based on Wang et al. (2015) Phase 1 clinical data (32 patients). Visualize concentration-time profiles and PARP inhibition dynamics.

Interactive semaglutide (Wegovy®/Ozempic®) population PK/PD simulator predicting individual weight loss over 68 weeks by dose escalation schedule, body weight, sex, T2D status, HbA1c, and age. Based on Strathe et al. 2023 STEP trials model (n=2,580).

Interactive PK simulator for levamisole based on a two-compartment allometric model jointly fitted across 8 species. Explore dose-concentration profiles with weight-based scaling. Source: Cheng, Jeong & Jusko (2026) J Pharm Invest.

Interactive pharmacokinetic simulator for intrathecal trastuzumab in leptomeningeal carcinomatosis of HER2+ breast cancer. Two-compartment model with target-mediated drug disposition based on Le Tilly et al. (2021) population PK analysis.