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pkpd-modeling

Category: chemistry-and-drug-discovery · License: MIT · Version: 1.2 · Includes scripts Tags: pharmacokinetics, pharmacodynamics, PK/PD, drug development, pharmacology

When to use it

Pharmacokinetic and pharmacodynamic modelling and simulation - non-compartmental analysis, compartmental and population PK, PK/PD and exposure-response, TMDD, PBPK orientation, bioequivalence, allometric scaling and first-in-human dose, drug interaction prediction, and Bayesian therapeutic drug monitoring. Use when analysing concentration-time data, deriving exposure metrics, fitting PK or PD models, or evaluating dosing regimens. Triggers include “pharmacokinetics”, “pharmacodynamics”, “PK/PD”, “NCA”, “non-compartmental”, “AUC”, “Cmax”, “lambda z”, “half-life”, “clearance”, “volume of distribution”, “compartmental model”, “population PK”, “popPK”, “NONMEM”, “nlmixr2”, “Pharmpy”, “Monolix”, “exposure-response”, “Emax”, “EC50”, “indirect response”, “effect compartment”, “TMDD”, “PBPK”, “bioequivalence”, “RSABE”, “ABEL”, “allometric scaling”, “first-in-human”, “MABEL”, “drug-drug interaction”, “DDI”, “ICH M12”, “concentration-QTc”, “therapeutic drug monitoring”, “MIPD”, and “dosing regimen”.

Example requests

Ask your agent in plain language, for example:
  • “How do I get the half-life and AUC from my plasma concentration data after an oral dose?”
  • “I’ve got a NONMEM-style CSV, study101_pk.csv, with columns ID, TIME, AMT, ADDL, II, DV, EVID, WT. Some DV cells say ‘BLQ’ and a few WT cells are blank. Before I run my two-compartment model, what should I check, and will NONMEM choke on this?”
  • “We’re planning a twice-daily regimen for a new antibiotic with high between-patient variability in clearance. I want to know what share of patients would keep their trough above the target concentration, not just what the average patient does.”

Install

In Claude Code you can also add the marketplace with /plugin marketplace add KalarisLabs/research-agent-skills and install the whole chemistry-and-drug-discovery category with /plugin install chemistry-and-drug-discovery@research-agent-skills.

Full playbook

Read SKILL.md for the complete workflow, references and any scripts. The agent installer copies the full skill folder.
Last modified on October 19, 2026