DMPK Tools

IVIVE Hepatic Clearance

In vitro to in vivo extrapolation of hepatic clearance using well-stirred model

Microsomal Stability Predictor

Predict in vivo clearance from microsomal stability half-life data

DDI Risk Assessment (FDA)

FDA static model R1/R2/R3 for CYP inhibition and induction risk classification

Enzyme Kinetics Calculator

Calculate Km, Vmax, and CLint from Michaelis-Menten kinetics data

BCS Classification Tool

Determine Biopharmaceutics Classification System class from solubility and permeability

Hepatocyte Stability CL

Predict in vivo clearance from hepatocyte stability data using HPGL scaling and well-stirred model

CYP Reaction Phenotyping

Calculate CYP enzyme contributions (fm) from selective inhibitor data for DDI vulnerability assessment

ML Property Predictor

Predict molecular ADMET properties using consensus ML models (ChemBERTa + ADMETlab) from SMILES or drug name

Drug Similarity Finder

Find structurally similar approved drugs with known PK properties using MolFormer molecular fingerprints

Toxicity Alert Screener

Multi-model toxicity risk assessment combining ADMETlab, DeepChem, and structural alerts (PAINS/Brenk)

ADMET Quick Profile

ML-based ADMET property prediction from SMILES or drug name via ADMETlab 3.0

Drug-Likeness Analyzer

Evaluate Lipinski, Veber, Egan, Ghose drug-likeness rules with QED and SA scores

CYP Inhibition Predictor

Predict CYP1A2, 2C9, 2C19, 2D6, 3A4 inhibition and substrate status from molecular structure

BBB Penetration Estimator

Predict blood-brain barrier penetration probability and CNS MPO score

hERG Liability Predictor

Predict hERG channel inhibition probability and QT prolongation risk from structure

Drug Interaction Quick Check

Check drug-drug interactions from FDA-approved label text via DailyMed and openFDA

Allometric Scaling (Multi-Species)

Scale PK parameters across species using allometric exponents to predict human CL and Vd from preclinical data

fu,mic Correction Calculator

Calculators

5 tools

P-gp Efflux Ratio Interpreter

Renal Clearance Predictor

Flip-Flop Kinetics Calculator

Power Model Calculator

References & Guides

4 tools

IVIVE Scaling Factors

Reference table of MPPGL, HPGL, liver weight, and hepatic blood flow across species for IVIVE

CYP Interaction Database

Look up CYP enzyme substrates, inhibitors, and inducers from FDA DDI guidance tables for drug metabolism assessment

PK Parameter Lookup

Look up published pharmacokinetic parameters (CL, Vd, t1/2, F, fu) for common drugs

Physiological Parameter Database

Reference database of organ weights, blood flows, tissue volumes from ICRP Publication 89