T022: Ligand-based screening: neural networks. We introduce the basics of neural networks and build a simple two-layer neural network. A model is trained on a subset of ChEMBL data to predict the pIC50 values of compounds against EGFR using MACCS [69] fingerprints as input. This talktorial is meant as groundwork for the understanding of neural networks. More complex architectures such as convolutional and recurrent neural networks will be explored in future notebooks. Such models may use the one-hot encoding of SMILES as input .