Predictive Pharmacokinetics

Personalize dosing,
based on the clinical context

SIMDIP-DB© quantitatively predicts unstudied drug-drug interactions using an original model, validated on 1,900 published interactions.

350 Drug substrates
213 Perpetrators (inh. & ind.)
2M+ Simulated rAUC values

Unstudied interactions
remain a clinical blind spot

The majority of drug combinations have never been the subject of a dedicated clinical study. Current tools are limited to qualitative alerts with no quantitative dose adjustment. 

Qualitative approaches

Conventional databases flag interaction risk without providing a quantitative dosing recommendation. Clinicians are left without a tool to adjust the dose.

Inter-individual variability ignored

Generic recommendations do not account for the patient's age, genetic polymorphisms, hepatic function, or renal function.

Missing clinical data

For thousands of drug combinations, no pharmacokinetic study has been published, particularly in pediatrics, cirrhotic patients, or those with renal impairment.

What SIMDIP-DB© provides

A quantitative AUC ratio for each interaction, accounting for clinical variability factors, even for combinations never tested in a clinical setting.

A pharmacokinetic model
unique and validated

SIMDIP-DB© is built on an original semi-physiological pharmacokinetic model that quantitatively simulates the impact of each interaction on drug plasma exposure. 

PK

Semi-physiological model

Based on organ physiological parameters and drug pharmacokinetic parameters. Predicts interactions not yet studied clinically.

Rx

Quantitative prediction

Each AUC ratio is a number, not a risk category. Directly convert the value into an adjusted dose for your patient.

Broad coverage of interaction mechanisms

The 7 major cytochromes (CYP1A2, 2B6, 2C8, 2C9, 2C19, 2D6, 3A4) as well as the transporters PgP, BCRP, OATP1B1, and OATP1B3.

Optimal dose = Usual dose / AUCr

The AUC ratio (AUCr) measures the increase or decrease in substrate plasma exposure in the presence of the perpetrator.
The adjusted dose is obtained directly by division, in accordance with the definitions in national SmPCs.

A model proven
against the world literature

1900
Published interactions used for validation
  • Original and unique model. The pharmacokinetic model underlying SIMDIP-DB© was developed specifically for the quantitative prediction of drug interactions and to account for the main variability factors.
  • Robust external validation. Benchmarked against a dataset of 1,900 interactions from the international literature, the model demonstrates predictive performance superior to static approaches.
  • Reliable extrapolation. The model's strength lies in its ability to predict unstudied interactions, in special populations, at off-label doses, thanks to its semi-physiological structure.
  • Regulatory alignment. The rAUC values produced are directly interpretable against agency recommendations (FDA, EMA) and dosages defined in national SmPCs.

Designed for
real clinical situations

Beyond basic interactions, SIMDIP-DB© integrates the variability factors that actually determine plasma exposure in each patient.

Variability factor Drug alone By route of administration Drug with perpetrator By dose of perpetrator
None  
Cirrhosis
Polymorphism  
Renal impairment    
Age (0–20 years)      
  • 350 substrates — victim drugs in the interaction
  • 210 perpetrators — enzyme inhibitors and inducers
  • 7 cytochromes — CYP1A2, 2B6, 2C8, 2C9, 2C19, 2D6, 3A4
  • Membrane transporters — PgP, BCRP, OATP1B1, OATP1B3
  • Genetic variants — 19 variants or variant groups of polymorphic cytochromes and transporters
  • 3 dose levels per perpetrator
  • 2 routes of administration — oral / parenteral
  • Age — from full-term neonate to adulthood
  • Hepatic cirrhosis (350 substrates) — by Child-Pugh grade
  • Renal impairment (130 substrates) — by creatinine clearance / GFR

How you could benefit

SIMDIP-DB© is designed for professionals who need a quantitative answer, not just an alert.

Healthcare Institution

Hospital Clinical Pharmacists

Optimize dosing for polymedicated patients with multiple comorbidities. SIMDIP-DB© provides the AUCr and adjusted dose for each interaction, including in pediatrics and in cirrhotic patients or those carrying a genetic variant.

Medical Biology Laboratory

Biologists / Therapeutic Drug Monitoring

Interpret plasma drug level results in the context of drug-drug interactions or genetic polymorphisms. Deliver personalized advice tailored to the clinical context.

Pharmacovigilance Center

Healthcare Professionals

Analyze the causality of adverse events through the lens of potential pharmacokinetic interactions and other variability factors, particularly pharmacogenetic ones.

Clinical Research Center, CRO

Investigators 

For clinical trials involving marketed compounds, precisely define inclusion and exclusion criteria regarding permitted or prohibited co-medications. Avoid overly broad exclusions that reduce patient recruitment.

What you want to know

Technical and practical questions about SIMDIP-DB©.

What is an AUC ratio (AUCr) in pharmacokinetics?

The AUC ratio (AUCr) is the ratio of the area under the plasma concentration-time curve of a drug in the presence of a perpetrator to that in its absence. It is predicted at steady-state, i.e. when the equilibrium concentrations of the victim drug are reached. An AUCr = 2 means exposure is doubled — a potential toxicity risk. An AUCr = 0.5 means it is halved — a potential loss of efficacy. The optimal dose is obtained directly: Adjusted dose = Usual dose / AUCr.

How does SIMDIP-DB© predict interactions never studied clinically?

SIMDIP-DB© uses an original semi-physiological pharmacokinetic model that simulates ADME processes (absorption, distribution, metabolism, elimination) from the characteristic parameters of the molecules and the physiological data of the organs. The characteristic parameters are estimated from clinical pharmacokinetic studies. This model, validated on 1,900 published interactions, can extrapolate to drug combinations not yet tested clinically.

What inter-individual variability factors are accounted for?

SIMDIP-DB© integrates: route of administration (oral or parenteral), perpetrator dose (3 levels), genetic variants of cytochromes (CYP2D6, CYP2C19, CYP2C9) and transporters (BCRP, OATP1B1), hepatic cirrhosis (Child-Pugh grade A/B/C), age (from full-term newborn to 20 years), and renal impairment (creatinine clearance or GFR).

How does SIMDIP-DB© differ from conventional drug interaction databases?

Conventional databases (Theriaque, Vidal, Micromedex…) provide categorical alerts (contraindication, precautionary use) based on observational data. SIMDIP-DB© produces a numeric AUCr for each substrate × perpetrator × patient context triplet, enabling direct dose adjustment, including for interactions not studied in a clinical setting.

What are the access and licensing terms?

Access to SIMDIP-DB© is provided through institutional or industrial licenses, tailored to your context (hospital, pharmaceutical group, CRO, software publisher). Contact us via the form below to discuss the terms. A demonstration access can be arranged upon request.

Let's talk about
your needs

SIMDIP-DB© is available through institutional or industrial licenses. We tailor access terms to your context: public hospital, pharmaceutical group, CRO, clinical software publisher.

For any questions about the science behind the model, the validation data, or integration possibilities, please don't hesitate to contact us.

  • Institutional hospital license
  • Pharmaceutical & biotech industry license
  • CRO & academic research license
  • API / software publisher integration