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 5-fluorouracil PK/PD simulator with nonlinear two-compartment pharmacokinetics, DPD activity adjustment, and Friberg myelosuppression modeling. 5-FU is a fluoropyrimidine antimetabolite that inhibits thymidylate synthase and also disrupts RNA and DNA synthesis in proliferating tumor cells. Built for exposure-guided dosing in colorectal and other gastrointestinal cancers using FOLFOX, FOLFIRI, and continuous infusion regimens.

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.

Population PK simulator for doxazosin, an oral alpha-1 adrenergic receptor antagonist used for BPH and hypertension. Supports dose, body weight, and hepatic function sensitivity exploration.

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.

Mechanistic translational PBPK-PD simulator for givosiran, a GalNAc-siRNA that delivers an RNAi trigger to hepatocytes and silences ALAS1 mRNA to lower neurotoxic heme intermediates in acute hepatic porphyria. Simulates plasma PK, liver distribution, RISC loading, and ALAS1 knockdown across rat, monkey, and human scenarios based on Ayyar and Song (2024).

Interactive bimekizumab PK simulator for BIMZELX subcutaneous regimens across psoriasis, psoriatic arthritis, axial spondyloarthritis, and hidradenitis suppurativa.

Interactive capecitabine population PK simulator with sequential metabolite modeling from capecitabine to 5'-DFCR, 5'-DFUR, and 5-fluorouracil. Capecitabine is an oral fluoropyrimidine prodrug that is converted to 5-FU, which inhibits thymidylate synthase and disrupts tumor DNA synthesis. Built for colorectal, breast, and gastric cancer PK research and dose exploration.

Population PK simulator for cefepime continuous infusion in critically ill adults. Two-compartment model with renal function and body size effects for target-controlled infusion and beta-lactam PK/PD target attainment.

Population PK simulator for datopotamab deruxtecan, a TROP2-directed ADC with a DXd topoisomerase I inhibitor payload. Models ADC disposition and payload-linked elimination relevant to oncology development.

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 docetaxel population PK simulator based on the Bruno et al. model. Docetaxel is a taxane chemotherapeutic that stabilizes beta-tubulin microtubules, blocks mitosis, and drives tumor cell death. The simulator supports IV dosing, exposure prediction, and covariate effects relevant to major solid tumors including breast, lung, prostate, gastric, and head and neck cancers.

Population PK simulator for dolutegravir, an oral HIV integrase inhibitor used in combination antiretroviral therapy. Includes pregnancy and drug interaction effects relevant to HIV treatment exposure.

Population PK simulator for efsubaglutide alfa, a long-acting subcutaneous GLP-1 receptor agonist for type 2 diabetes. Useful for exploring accumulation and exposure across patient covariates.

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).

Population PK simulator for fruquintinib, an oral VEGFR1/2/3 inhibitor used in previously treated metastatic colorectal cancer. Supports exposure assessment for antiangiogenic oncology dosing.

Population PK simulator for ganciclovir exposure after oral valganciclovir in solid organ transplant recipients. Two-compartment model with allometric scaling and renal covariates for CMV prophylaxis dose evaluation.

Population PK/PD simulator for inotersen, a subcutaneous antisense oligonucleotide that reduces transthyretin production by targeting TTR mRNA. Includes exposure-response modeling for TTR lowering in hATTR-PN.

Comparative PK simulator for intranasal nalmefene and naloxone used in opioid overdose rescue. Useful for comparing onset, persistence, and exposure profiles relevant to fentanyl-era overdose response.

Translational PK-PD simulator comparing intranasal nalmefene and naloxone for opioid overdose rescue. Connects antagonist exposure to simulated overdose reversal outcomes in virtual patients.

Population PK simulator for BAY 81-8973 (Kovaltry), a recombinant factor VIII replacement used in hemophilia A. Two-compartment model with lean body weight scaling for prophylaxis planning.

Allometric PK simulator for levamisole, an oral imidazothiazole anthelmintic with historical immunomodulatory use. Two-compartment cross-species model for translational PK scaling.

Interactive linezolid population PK simulator for critically ill COVID-19 ARDS patients on veno-venous ECMO. Linezolid is an oxazolidinone antibiotic that inhibits bacterial protein synthesis by binding the 50S ribosomal subunit. The model supports IV infusion exposure prediction and PK/PD target attainment assessment for severe Gram-positive infections.

Population PK simulator for losartan and its active metabolite EXP-3174, an oral ARB regimen used for hypertension. Incorporates sinusoidal gastric emptying to describe oscillatory post-dose concentration profiles.

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.

Interactive magnesium sulphate population PK simulator for pre-eclampsia and eclampsia. Magnesium sulphate reduces seizure risk through central NMDA receptor antagonism and neuromuscular membrane stabilization. The model supports IV and IM dosing, body-weight and renal function covariates, and clinical dosing exploration for maternal seizure prophylaxis and treatment.

Interactive magnesium sulphate population PK simulator for pre-eclampsia and eclampsia. Magnesium sulphate reduces seizure risk through central NMDA receptor antagonism and neuromuscular membrane stabilization. The model supports IV and IM dosing, body-weight and renal function covariates, and clinical dosing exploration for maternal seizure prophylaxis and treatment.

Free interactive pharmacokinetic simulator for magnesium sulphate (MgSO₄) in pre-eclampsia and eclampsia. Based on Salinger et al. (2013) population PK model: 1-compartment, IV/IM dosing, body weight and serum creatinine covariates. Compare MAGPIE IV vs IM regimens, explore therapeutic window (2.0–3.5 mmol/L), and optimize seizure prophylaxis dosing.

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.

Population PK simulator for ganciclovir and valganciclovir in solid organ transplant recipients. Two-compartment model with renal function driven clearance, useful for CMV prophylaxis and treatment exposure assessment.

Population PK simulator for ganciclovir exposure after oral valganciclovir in adult renal transplant recipients. Two-compartment model with creatinine-clearance effect on clearance, designed for CMV prophylaxis exposure assessment and AUC target evaluation.

Population PK simulator for moxifloxacin in children with rifampicin-resistant tuberculosis. Models oral absorption and size scaling to support pediatric TB exposure assessment.

Interactive ORKA-002 PK simulator for hidradenitis suppurativa using a pragmatic one-compartment SC biologic model calibrated to HS-adjusted PK summary values.

Interactive bimekizumab (BIMZELX) pharmacokinetic simulator based on FDA label population PK, with plaque psoriasis, psoriatic arthritis, axial spondyloarthritis, and hidradenitis suppurativa regimens.

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.

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.

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 simulator for trastuzumab deruxtecan and sacituzumab govitecan. Models systemic disposition, payload lung exposure, and interstitial lung disease risk to support mechanistic ADC safety interpretation.

Semi-mechanistic uric acid simulator covering xanthine oxidase inhibition and uricosuric therapy for gout-related hyperuricemia. Designed to explore serum urate lowering across renal function scenarios.

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 pertuzumab population PK simulator for HER2-positive cancers. Pertuzumab is a monoclonal antibody that binds HER2 domain II and blocks HER2 dimerization signaling. This two-compartment linear PopPK model supports fixed 840 mg loading then 420 mg every-3-week IV dosing and weight-based exploration for HER2-positive breast and other HER2-driven solid tumors.

Interactive PK/PD simulator for glucarpidase rescue after high-dose methotrexate. Glucarpidase is a recombinant carboxypeptidase enzyme that rapidly hydrolyzes circulating methotrexate to inactive DAMPA and glutamate, supporting management of delayed methotrexate clearance and life-threatening toxicity in oncology patients.

Population PK simulator for piperacillin in neonates. Uses maturation, body weight, and serum creatinine effects to estimate exposure and percent time above MIC for NICU antibiotic dosing decisions.

PK/PD simulator for lorlatinib, an oral ALK/ROS1 tyrosine kinase inhibitor used in advanced NSCLC. Includes oral PK, ALK phosphorylation rebound, and tumor growth inhibition components based on preclinical translational modeling.

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.

Population PK simulator for rucaparib, an oral PARP inhibitor used in BRCA-associated ovarian cancer. Two-compartment model with sequential absorption based on FDA clinical pharmacology analyses.

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.

Interactive population PK simulator for serplulimab (HLX10). Two-compartment model with time-dependent clearance. Compare 200mg Q2W vs 300mg Q3W flat dosing vs weight-based regimens. Based on CPT:PSP 2026 Wang et al. and EMA label.

Population PK simulator for sertraline, an oral SSRI that inhibits the serotonin transporter. Includes CYP2C19 genotype and age effects to estimate exposure differences relevant to depression and anxiety treatment.

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.

PBPK-TMDD simulator for trastuzumab in HER2-positive breast cancer with explicit HER2 ectodomain shedding. Useful for exploring how soluble HER2 shifts exposure and target occupancy.

PBPK-TMDD simulator for trastuzumab in HER2-positive breast cancer. Models HER2 binding, receptor shedding, and target-mediated disposition to explore how soluble and membrane HER2 affect exposure and 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.

Population PK simulator for once-daily tacrolimus extended-release (Advagraf), a calcineurin inhibitor used after kidney transplantation. Includes CYP3A5 genotype effects on oral exposure and clearance.

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.

Interactive tozorakimab PK/target-engagement simulator based on a published two-compartment popPK model with SC/IV dosing and Figure 5-calibrated IL-33/sST2 inhibition.

PK/PD simulator for tramadol in neuropathic pain. Links oral parent and active metabolite exposure to analgesic response, with diabetes-related covariate effects.

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.

Population PK simulator for trastuzumab, a HER2-directed monoclonal antibody used in HER2-positive breast cancer. Two-compartment IV model with covariate effects on clearance and volume based on Bruno et al.

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 vancomycin, a glycopeptide antibiotic that binds D-Ala-D-Ala termini to block Gram-positive cell wall synthesis. Simulates IV dosing in hospitalized adults with and without intermittent hemodialysis using renal function, body weight, and dialysis effects from Goti et al. (2018) to support serious MRSA and other invasive Gram-positive infections.

Interactive vixarelimab PK simulator based on a 2-compartment TMDD/QSS population pharmacokinetic model reported by Tang et al. 2026 in healthy volunteers and patients with chronic pruritic conditions.

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 voriconazole MIPD simulator for invasive fungal infections. Voriconazole is a triazole antifungal that inhibits fungal CYP51, reducing ergosterol synthesis. This tool implements the Kluwe aggregate nonlinear mixed-effects model plus comparator oral and IV PopPK models to individualize exposure and trough targets during treatment of aspergillosis and other serious mycoses.

Free ziftomenib population PK simulator for relapsed/refractory NPM1-mutated AML. Explore 600 mg QD dosing, food, PPI, strong CYP3A4 inhibitor effects, and KO-739/KO-516 metabolite exposure from Mitra et al. 2026.

Interactive glucarpidase rescue PK/PD simulator for delayed methotrexate elimination after high-dose methotrexate. Glucarpidase is a carboxypeptidase enzyme rescue therapy that rapidly hydrolyzes circulating methotrexate to inactive metabolites when renal clearance fails. The model simulates methotrexate decline, rebound, and rescue thresholds to support oncology toxicity management based on Kimura et al. (2023).

Population PK simulator for lenvatinib, an oral multikinase inhibitor used across thyroid cancer, hepatocellular carcinoma, and renal cell carcinoma. Includes interaction and hepatic function covariates relevant to exposure.

Population PK and exposure-response simulator for osimertinib, a third-generation EGFR tyrosine kinase inhibitor used in EGFR-mutant NSCLC. Includes parent drug, AZ5104 metabolite, and exposure links to QTc and selected adverse events.

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).

PK/PD simulator for rucaparib, a PARP1/2/3 inhibitor. Links multi-compartment PK to direct Emax PARP inhibition, supporting mechanistic interpretation of target engagement in oncology.

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).

Population PK simulator for intrathecal trastuzumab in HER2-positive breast cancer with leptomeningeal disease. Models CSF disposition and target-mediated behavior relevant to CNS-directed anti-HER2 therapy.