qsar models

How are QSAR Models Validated?

Model validation is a critical step in ensuring the reliability of QSAR predictions. Several validation techniques are commonly used:
1. Internal Validation: Techniques like cross-validation and bootstrapping are used to assess the model's performance on the training dataset.
2. External Validation: The model is tested on an independent dataset that was not used during the model-building process to evaluate its predictive power.
3. Statistical Metrics: Metrics such as , RMSE, and are used to quantify the model's accuracy and robustness.

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