De novo simply means to synthesize LTSM-RNN

  • My current task involves training a Recurrent Neural Network (RNN) to generate new molecules, known as de novo synthesis. The RNN learns patterns from SMILES strings, which are string representations of molecules based on their structure and components. This approach enables the model to produce valid molecules as output, as SMILES provides a computer-friendly representation of molecules.

Note that the jupyter notebook supports both light and dark themes.