ifyoungnet / NOAEL

A pipeline for NOAEL prediction

NOAEL

A pipeline for NOAEL prediction

How to form your own prediction pipeline:

The details of constructing your own workflow are shown in Figure 1 and Figure2. Explanation of workflow:

1) The local model file is read by the Model Reader node above, while the below reads the model-Normalizer.zip file for normalizer;

2) The node of File Reader is used to read the data that needs to be predicted;

3) Convert numbers of label to strings using Number to String node is required in classification models;

4) Select the corresponding prediction node according to the model read by the model reader;

5) Output for the prediction result. In addition, evaluation nodes can be chosen according to your task.

Figure 1. KNIME usage example of classification model.

Figure 2. KNIME usage example of NOAEL prediction model.

Figure 3. KNIME usage example of application domain.

Publication

Jie Qian, Rui Liang, Fang-liang Song, Xue-jie Wang, Ying Liang, Wen-bin Zeng, Jie Dong. NOAEL prediction and explanation by systematic comparison of different machine learning methods and descriptors. Food and Chemical Toxicology, Available online 10 August 2022, 113325.

Contact

• Dong Jie [e-mail]