The intend is to solve the forward-reaction prediction problem, where the reactants are known and the interest is in generating the reaction products using Deep learning. This Graphical User Interface takes simplified molecular-input line-entry system (SMILES) as an input and generates the product SMILE & molecule.
Beam search is used in Version 2, to generate top 5 predictions.
Maximum input length for the model is 15 (excluding spaces).
Features
- Cheminformatics
- Neural Networks
- NLP
- Deep Learning
- Python
- Qt
- SMILES
