1. Model Data

2. Model Deployment for Prediction

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3. Model Description

This is a partial least squares regression (PLSR) model for NanoAID-16 (Zeta Potential in Water).
The model was developed using a training set of 190 nanomaterials (NMs) and employed a leave-one-out cross-validation procedure. Additionally, it was validated with a validation set of 23 NMs. The model's coefficient of determination (R²) for the training set is 0.798, and it has a root mean squared error (RMSE) of 13.627. For the validation set, the R² value is 0.625, with an RMSE of 14.530. The zeta potential of NMs were measured in a Malvern Nano Z Zetasizer by suspending NMs in Millipore water PH=7.