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-15 (Reactive Oxygen Species).
The model was developed using a training set of 32 nanomaterials (NMs) and employed a leave-one-out cross-validation procedure. Additionally, it was validated with a validation set of 4 NMs. The model's coefficient of determination (R²) for the training set is 0.753, and it has a root mean squared error (RMSE) of 0.324. For the validation set, the R² value is 0.528, with an RMSE of 0.275. Reactive Oxygen Species (ROS) was measured in A549 cells.