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Changelog

v0.9.0 (2026-02-26)

Added

35-state ODE engine with SC depot route (Phase 1)
Multi-species physiology: rat, mouse, dog (Phase 1)
Virtual population with NHANES-based covariate sampling (Phase 1)
Pediatric CYP ontogeny: CYP3A4/2D6/1A2 (Phase 1)
OmegaPipeline: SMILES -> ADME -> PBPK (Phase 2)
DDI risk assessment (FDA 2020 static model) (Phase 2)
Non-compartmental analysis (NCA) (Phase 2)
HTML regulatory report generator (Phase 2)
Neural surrogate model trained on real PBPK data (Phase 3)
PopulationSimulator with parallel covariate-scaled PBPK (Phase 3)
Allometric scaling: Boxenbaum + multi-species log-log (Phase 3)
IVIVE: microsomal/hepatocyte CLint -> CLh (Phase 3)
VPC and forest plots (Phase 3)
25-drug ADME reference dataset (Phase 4)
5-compound benchmark validation suite (Phase 4)
PGx-stratified PBPK: PM/IM/NM/UM profiles (Phase 4)
End-to-end integration tests (Phase 4)
FastAPI REST server (Phase 5)
Literature-derived benchmark clinical PK data (Phase 5)

Fixed

np.trapz -> np.trapezoid deprecation warnings
_REPO_ROOT path resolution in surrogate training
Caffeine CLint calibrated to literature values (40.0 -> 2.3 L/h)
Drug.logP field name (capital P)

v0.8.0

Initial multi-phase PBPK platform