Machine Learning-Assisted FTIR Spectroscopy Analysis of Kidney Preservation Fluids for Delayed Graft Function Risk Stratification

Background/Objectives: Delayed graft function (DGF) remains a common early complication after deceased donor kidney transplantation and is challenging to anticipate using routine pre-implant clinical variables alone. We investigated whether high-throughput Fourier transform infrared (FTIR) spectroscopy of static cold storage preservation fluid (not machine perfusion perfusate) captures biochemical information associated with DGF and warrants further evaluation alongside routine pre-implant clinical predictors. Methods: In this single-center retrospective cohort, we analyzed preservation fluid samples from 56 kidney transplants originating from 49 deceased donors (7 donors contributed two kidneys); DGF occurred in 14/56 (25.0%). Dried-film FTIR spectra were acquired using a plate-based high-throughput accessory, and analyses focused on the fingerprint region (900–1800 cm−1) with prespecified preprocessing and quality control. We developed and compared clinical-only, FTIR-only, and combined predictive models and estimated performance using donor-blinded 5-fold StratifiedGroupKFold cross-validation (grouped by donor code) to prevent leakage across paired kidneys. Results: Donor-blinded discrimination (pooled out-of-fold ROC-AUC) was 0.775 for the clinical-only model, 0.814 for the FTIR-only model, and 0.796 for the combined model; probabilistic accuracy (Brier score; lower is better) was 0.162, 0.194, and 0.177, respectively. Calibration intercepts were negative and slopes were