The round-robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential.

ABSTRACT: A key step in building regulatory acceptance of alternative or non-animal test methods has long been the use of interlaboratory comparisons or round-robins (RRs), in which a common test material and standard operating procedure is provided to all participants, who measure the specific endpoint and return their data for statistical comparison to demonstrate the reproducibility of the method. While there is currently no standard approach for the comparison of modelling approaches, consensus modelling is emerging as a "modelling equivalent" of a RR. We demonstrate here a novel approach to evaluate the performance of different models for the same endpoint (nanomaterials' zeta potential) trained using a common dataset, through generation of a consensus model, leading to increased confidence in

SUBMITTER: Varsou DD 

PROVIDER: S-EPMC11610486 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature